1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one

C147H216ClF3N26O7 — CID 158952067

About 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one

1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one (PubChem CID 158952067) has the molecular formula C147H216ClF3N26O7 and a molecular weight of 2551.97 g/mol. Its IUPAC name is 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one.

Molecular Properties

• Compound Name: 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one
• PubChem CID: 158952067
• Molecular Formula: C147H216ClF3N26O7
• Molecular Weight: 2551.97 g/mol
• Exact Mass: 2549.70
• IUPAC Name: 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one
• SMILES: C=CC(=C)NC1CCN(C(=O)C(C)CN2CCN(c3ccc(Cl)cc3)CC2)CC1.CCOc1ccc(N2CCC(CN(C)C(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.CNC1CCN(C(=O)CCCN2CCN(c3ccc(C)cc3)CC2)CC1.CNC1CCN(C(=O)CCCN2CCN(c3ccc(C)cc3)CC2)CC1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C)c(C)n4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C)nc4)CC3)CC2)cc1
• InChI: InChI=1S/C29H39F3N4O2.C27H39N5O.C26H37N5O.C23H33ClN4O.2C21H34N4O/c1-4-38-26-9-7-25(8-10-26)35-15-11-22(12-16-35)20-34(3)28(37)36-17-13-23(14-18-36)33-24-6-5-21(2)27(19-24)29(30,31)32;1-21-6-9-25(10-7-21)31-19-17-30(18-20-31)14-4-5-27(33)32-15-12-24(13-16-32)29-26-11-8-22(2)23(3)28-26;1-21-5-9-25(10-6-21)30-18-16-29(17-19-30)13-3-4-26(32)31-14-11-23(12-15-31)28-24-8-7-22(2)27-20-24;1-4-19(3)25-21-9-11-28(12-10-21)23(29)18(2)17-26-13-15-27(16-14-26)22-7-5-20(24)6-8-22;2*1-18-5-7-20(8-6-18)24-16-14-23(15-17-24)11-3-4-21(26)25-12-9-19(22-2)10-13-25/h5-10,19,22-23,33H,4,11-18,20H2,1-3H3;6-11,24H,4-5,12-20H2,1-3H3,(H,28,29);5-10,20,23,28H,3-4,11-19H2,1-2H3;4-8,18,21,25H,1,3,9-17H2,2H3;2*5-8,19,22H,3-4,9-17H2,1-2H3
• InChIKey: JLOACGKOSDQQMY-UHFFFAOYSA-N
• XLogP: 21.57
• TPSA: 267.93 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 40
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2551.97
LogP ≤ 5	21.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one?

The IUPAC name of 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one (CID 158952067) is 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one.

What is the SMILES notation for 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one?

The canonical SMILES for 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one is C=CC(=C)NC1CCN(C(=O)C(C)CN2CCN(c3ccc(Cl)cc3)CC2)CC1.CCOc1ccc(N2CCC(CN(C)C(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.CNC1CCN(C(=O)CCCN2CCN(c3ccc(C)cc3)CC2)CC1.CNC1CCN(C(=O)CCCN2CCN(c3ccc(C)cc3)CC2)CC1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C)c(C)n4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C)nc4)CC3)CC2)cc1.

What is the InChIKey of 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one?

The InChIKey is JLOACGKOSDQQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39F3N4O2.C27H39N5O.C26H37N5O.C23H33ClN4O.2C21H34N4O/c1-4-38-26-9-7-25(8-10-26)35-15-11-22(12-16-35)20-34(3)28(37)36-17-13-23(14-18-36)33-24-6-5-21(2)27(19-24)29(30,31)32;1-21-6-9-25(10-7-21)31-19-17-30(18-20-31)14-4-5-27(33)32-15-12-24(13-16-32)29-26-11-8-22(2)23(3)28-26;1-21-5-9-25(10-6-21)30-18-16-29(17-19-30)13-3-4-26(32)31-14-11-23(12-15-31)28-24-8-7-22(2)27-20-24;1-4-19(3)25-21-9-11-28(12-10-21)23(29)18(2)17-26-13-15-27(16-14-26)22-7-5-20(24)6-8-22;2*1-18-5-7-20(8-6-18)24-16-14-23(15-17-24)11-3-4-21(26)25-12-9-19(22-2)10-13-25/h5-10,19,22-23,33H,4,11-18,20H2,1-3H3;6-11,24H,4-5,12-20H2,1-3H3,(H,28,29);5-10,20,23,28H,3-4,11-19H2,1-2H3;4-8,18,21,25H,1,3,9-17H2,2H3;2*5-8,19,22H,3-4,9-17H2,1-2H3.

What are the key properties of 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one?

1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one has a molecular weight of 2551.97 g/mol, XLogP of 21.57, 40 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 158952067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).