[3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone

C78H94F3N7O4 — CID 160735125

IUPAC[3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone
SMILESCCC(C)N1CCC(c2c[nH]c3ccc(C(=O)c4ccccc4N(C)C)cc23)CC1.CCCCCN1CCC(c2c[nH]c3ccc(C(=O)CCCc4ccccc4)cc23)CC1.CCCN1CCC(c2c[nH]c3ccc(C(=O)c4cccc(OC(F)(F)F)c4)cc23)CC1
InChIInChI=1S/C28H36N2O.C26H33N3O.C24H25F3N2O2/c1-2-3-7-17-30-18-15-23(16-19-30)26-21-29-27-14-13-24(20-25(26)27)28(31)12-8-11-22-9-5-4-6-10-22;1-5-18(2)29-14-12-19(13-15-29)23-17-27-24-11-10-20(16-22(23)24)26(30)21-8-6-7-9-25(21)28(3)4;1-2-10-29-11-8-16(9-12-29)21-15-28-22-7-6-18(14-20(21)22)23(30)17-4-3-5-19(13-17)31-24(25,26)27/h4-6,9-10,13-14,20-21,23,29H,2-3,7-8,11-12,15-19H2,1H3;6-11,16-19,27H,5,12-15H2,1-4H3;3-7,13-16,28H,2,8-12H2,1H3
InChIKeyRUVRATILLZWNER-UHFFFAOYSA-N
MW1250.65 g/mol
LogP18.07
Rot. Bonds22

About [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone

[3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 160735125) has the molecular formula C78H94F3N7O4 and a molecular weight of 1250.65 g/mol. Its IUPAC name is [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID160735125
Molecular FormulaC78H94F3N7O4
Molecular Weight1250.65 g/mol
Exact Mass1249.73
IUPAC Name[3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone
SMILESCCC(C)N1CCC(c2c[nH]c3ccc(C(=O)c4ccccc4N(C)C)cc23)CC1.CCCCCN1CCC(c2c[nH]c3ccc(C(=O)CCCc4ccccc4)cc23)CC1.CCCN1CCC(c2c[nH]c3ccc(C(=O)c4cccc(OC(F)(F)F)c4)cc23)CC1
InChIInChI=1S/C28H36N2O.C26H33N3O.C24H25F3N2O2/c1-2-3-7-17-30-18-15-23(16-19-30)26-21-29-27-14-13-24(20-25(26)27)28(31)12-8-11-22-9-5-4-6-10-22;1-5-18(2)29-14-12-19(13-15-29)23-17-27-24-11-10-20(16-22(23)24)26(30)21-8-6-7-9-25(21)28(3)4;1-2-10-29-11-8-16(9-12-29)21-15-28-22-7-6-18(14-20(21)22)23(30)17-4-3-5-19(13-17)31-24(25,26)27/h4-6,9-10,13-14,20-21,23,29H,2-3,7-8,11-12,15-19H2,1H3;6-11,16-19,27H,5,12-15H2,1-4H3;3-7,13-16,28H,2,8-12H2,1H3
InChIKeyRUVRATILLZWNER-UHFFFAOYSA-N
XLogP18.07
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001250.65
LogP ≤ 518.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone with MolForge

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Related Compounds

1-[4-[4-[4-[2-(1H-indol-5-yl)-6-(3-methoxyphenyl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798392
3-(1-benzylpiperidin-4-yl)-1-[4-[4-[4-(5-methoxy-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]propan-1-one
CID 166629312
3-[4-[4-[4-[3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanoyl]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 166635646
[3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone
CID 70693044
(5-Methoxy-1h-indol-3-yl)(6-methoxy-2-(3-(trifluoromethyl)benzyl)-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indol-1-yl)methanone
CID 172407666
(5-Methoxy-1h-indol-3-yl)(6-methoxy-2-(3-(trifluoromethoxy)benzyl)-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indol-1-yl)methanone
CID 172407675
7-(3-Methoxyphenyl)-3-aza-13-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-20-one chloride
CID 177646758
3-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one
CID 44374024
N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-3-(trifluoromethoxy)benzamide
CID 11720617
(2S)-N-[4-[bis[4-[[(2S)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-3-pyridin-2-ylpropanoyl]amino]phenyl]methyl]phenyl]-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-3-pyridin-2-ylpropanamide;2,2,2-trifluoroacetic acid
CID 20779526
(2R)-N-[4-[bis[4-[[(2R)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-3-pyridin-4-ylpropanoyl]amino]phenyl]methyl]phenyl]-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-3-pyridin-4-ylpropanamide;2,2,2-trifluoroacetic acid
CID 20779528
[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 21842946

Frequently Asked Questions

What is the IUPAC name of [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone (CID 160735125) is [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone is CCC(C)N1CCC(c2c[nH]c3ccc(C(=O)c4ccccc4N(C)C)cc23)CC1.CCCCCN1CCC(c2c[nH]c3ccc(C(=O)CCCc4ccccc4)cc23)CC1.CCCN1CCC(c2c[nH]c3ccc(C(=O)c4cccc(OC(F)(F)F)c4)cc23)CC1.
What is the InChIKey of [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is RUVRATILLZWNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O.C26H33N3O.C24H25F3N2O2/c1-2-3-7-17-30-18-15-23(16-19-30)26-21-29-27-14-13-24(20-25(26)27)28(31)12-8-11-22-9-5-4-6-10-22;1-5-18(2)29-14-12-19(13-15-29)23-17-27-24-11-10-20(16-22(23)24)26(30)21-8-6-7-9-25(21)28(3)4;1-2-10-29-11-8-16(9-12-29)21-15-28-22-7-6-18(14-20(21)22)23(30)17-4-3-5-19(13-17)31-24(25,26)27/h4-6,9-10,13-14,20-21,23,29H,2-3,7-8,11-12,15-19H2,1H3;6-11,16-19,27H,5,12-15H2,1-4H3;3-7,13-16,28H,2,8-12H2,1H3.
What are the key properties of [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone?
[3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 1250.65 g/mol, XLogP of 18.07, 22 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-[2-(dimethylamino)phenyl]methanone;1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbutan-1-one;[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 160735125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).