1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione

C151H219F9N24O6S5 — CID 158536209

IUPAC1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione
SMILESC=CC(=C)NC1CCN(C(=O)CCN2CCN(c3nnc(C)s3)CC2)CC1.CC(C)(C)c1ccc(N2CCN(CCCC(=S)N3CCC(N)CC3)CC2)cc1.CNC1CCN(C(=O)CCCC2CCN(c3ccc(C)cc3)CC2)CC1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4ccc(S(C)(=O)=O)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Oc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=O)C(C)CN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C31H43F3N4O.C28H37F3N4O2S2.C28H36F3N3OS.C23H38N4S.C22H35N3O.C19H30N6OS/c1-22-6-9-26(20-28(22)31(32,33)34)35-25-12-14-38(15-13-25)29(39)23(2)21-36-16-18-37(19-17-36)27-10-7-24(8-11-27)30(3,4)5;1-21-5-8-24(9-6-21)34-18-16-33(17-19-34)13-3-4-27(38)35-14-11-22(12-15-35)32-23-7-10-26(39(2,36)37)25(20-23)28(29,30)31;1-21-5-8-23(9-6-21)33-18-16-32(17-19-33)13-3-4-27(36)34-14-11-24(12-15-34)35-25-10-7-22(2)26(20-25)28(29,30)31;1-23(2,3)19-6-8-21(9-7-19)26-17-15-25(16-18-26)12-4-5-22(28)27-13-10-20(24)11-14-27;1-18-6-8-21(9-7-18)24-14-10-19(11-15-24)4-3-5-22(26)25-16-12-20(23-2)13-17-25;1-4-15(2)20-17-5-9-24(10-6-17)18(26)7-8-23-11-13-25(14-12-23)19-22-21-16(3)27-19/h6-11,20,23,25,35H,12-19,21H2,1-5H3;5-10,20,22,32H,3-4,11-19H2,1-2H3;5-10,20,24H,3-4,11-19H2,1-2H3;6-9,20H,4-5,10-18,24H2,1-3H3;6-9,19-20,23H,3-5,10-17H2,1-2H3;4,17,20H,1-2,5-14H2,3H3
InChIKeyHNYYGGNZRBRTSR-UHFFFAOYSA-N
MW2797.89 g/mol
LogP26.36
Rot. Bonds39

About 1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione

1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione (PubChem CID 158536209) has the molecular formula C151H219F9N24O6S5 and a molecular weight of 2797.89 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione
PubChem CID158536209
Molecular FormulaC151H219F9N24O6S5
Molecular Weight2797.89 g/mol
Exact Mass2795.60
IUPAC Name1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione
SMILESC=CC(=C)NC1CCN(C(=O)CCN2CCN(c3nnc(C)s3)CC2)CC1.CC(C)(C)c1ccc(N2CCN(CCCC(=S)N3CCC(N)CC3)CC2)cc1.CNC1CCN(C(=O)CCCC2CCN(c3ccc(C)cc3)CC2)CC1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4ccc(S(C)(=O)=O)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Oc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=O)C(C)CN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C31H43F3N4O.C28H37F3N4O2S2.C28H36F3N3OS.C23H38N4S.C22H35N3O.C19H30N6OS/c1-22-6-9-26(20-28(22)31(32,33)34)35-25-12-14-38(15-13-25)29(39)23(2)21-36-16-18-37(19-17-36)27-10-7-24(8-11-27)30(3,4)5;1-21-5-8-24(9-6-21)34-18-16-33(17-19-34)13-3-4-27(38)35-14-11-22(12-15-35)32-23-7-10-26(39(2,36)37)25(20-23)28(29,30)31;1-21-5-8-23(9-6-21)33-18-16-32(17-19-33)13-3-4-27(36)34-14-11-24(12-15-34)35-25-10-7-22(2)26(20-25)28(29,30)31;1-23(2,3)19-6-8-21(9-7-19)26-17-15-25(16-18-26)12-4-5-22(28)27-13-10-20(24)11-14-27;1-18-6-8-21(9-7-18)24-14-10-19(11-15-24)4-3-5-22(26)25-16-12-20(23-2)13-17-25;1-4-15(2)20-17-5-9-24(10-6-17)18(26)7-8-23-11-13-25(14-12-23)19-22-21-16(3)27-19/h6-11,20,23,25,35H,12-19,21H2,1-5H3;5-10,20,22,32H,3-4,11-19H2,1-2H3;5-10,20,24H,3-4,11-19H2,1-2H3;6-9,20H,4-5,10-18,24H2,1-3H3;6-9,19-20,23H,3-5,10-17H2,1-2H3;4,17,20H,1-2,5-14H2,3H3
InChIKeyHNYYGGNZRBRTSR-UHFFFAOYSA-N
XLogP26.36
TPSA249.58 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds39
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002797.89
LogP ≤ 526.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-Tert-butylphenyl)piperazin-1-yl]-1-[4-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one
CID 157366776
4-[4-(4-Tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one
CID 161343450
3-[4-(4-Tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione
CID 161906392

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione (CID 158536209) is 1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione is C=CC(=C)NC1CCN(C(=O)CCN2CCN(c3nnc(C)s3)CC2)CC1.CC(C)(C)c1ccc(N2CCN(CCCC(=S)N3CCC(N)CC3)CC2)cc1.CNC1CCN(C(=O)CCCC2CCN(c3ccc(C)cc3)CC2)CC1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4ccc(S(C)(=O)=O)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Oc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=O)C(C)CN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione?
The InChIKey is HNYYGGNZRBRTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43F3N4O.C28H37F3N4O2S2.C28H36F3N3OS.C23H38N4S.C22H35N3O.C19H30N6OS/c1-22-6-9-26(20-28(22)31(32,33)34)35-25-12-14-38(15-13-25)29(39)23(2)21-36-16-18-37(19-17-36)27-10-7-24(8-11-27)30(3,4)5;1-21-5-8-24(9-6-21)34-18-16-33(17-19-34)13-3-4-27(38)35-14-11-22(12-15-35)32-23-7-10-26(39(2,36)37)25(20-23)28(29,30)31;1-21-5-8-23(9-6-21)33-18-16-32(17-19-33)13-3-4-27(36)34-14-11-24(12-15-34)35-25-10-7-22(2)26(20-25)28(29,30)31;1-23(2,3)19-6-8-21(9-7-19)26-17-15-25(16-18-26)12-4-5-22(28)27-13-10-20(24)11-14-27;1-18-6-8-21(9-7-18)24-14-10-19(11-15-24)4-3-5-22(26)25-16-12-20(23-2)13-17-25;1-4-15(2)20-17-5-9-24(10-6-17)18(26)7-8-23-11-13-25(14-12-23)19-22-21-16(3)27-19/h6-11,20,23,25,35H,12-19,21H2,1-5H3;5-10,20,22,32H,3-4,11-19H2,1-2H3;5-10,20,24H,3-4,11-19H2,1-2H3;6-9,20H,4-5,10-18,24H2,1-3H3;6-9,19-20,23H,3-5,10-17H2,1-2H3;4,17,20H,1-2,5-14H2,3H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione?
1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione has a molecular weight of 2797.89 g/mol, XLogP of 26.36, 39 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione is sourced from PubChem (CID 158536209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).