1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone

C65H84Cl2N10O5S — CID 157214604

IUPAC1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(C(C)C)cc3[nH]ccc23)CC1.CC(C)c1cc(C2CCN(S(C)(=O)=O)CC2)c2cc[nH]c2c1.CN(C)C(=O)C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.NC(=O)C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/C18H24N2O.C17H24N2O2S.C16H20ClN3O.C14H16ClN3O/c1-12(2)15-10-17(16-4-7-19-18(16)11-15)14-5-8-20(9-6-14)13(3)21;1-12(2)14-10-16(15-4-7-18-17(15)11-14)13-5-8-19(9-6-13)22(3,20)21;1-19(2)16(21)11-4-7-20(8-5-11)15-10-12(17)9-14-13(15)3-6-18-14;15-10-7-12-11(1-4-17-12)13(8-10)18-5-2-9(3-6-18)14(16)19/h4,7,10-12,14,19H,5-6,8-9H2,1-3H3;4,7,10-13,18H,5-6,8-9H2,1-3H3;3,6,9-11,18H,4-5,7-8H2,1-2H3;1,4,7-9,17H,2-3,5-6H2,(H2,16,19)
InChIKeyASGSADYHAVTGKC-UHFFFAOYSA-N
MW1188.42 g/mol
LogP13.10
Rot. Bonds9

About 1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone

1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone (PubChem CID 157214604) has the molecular formula C65H84Cl2N10O5S and a molecular weight of 1188.42 g/mol. Its IUPAC name is 1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone
PubChem CID157214604
Molecular FormulaC65H84Cl2N10O5S
Molecular Weight1188.42 g/mol
Exact Mass1186.57
IUPAC Name1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(C(C)C)cc3[nH]ccc23)CC1.CC(C)c1cc(C2CCN(S(C)(=O)=O)CC2)c2cc[nH]c2c1.CN(C)C(=O)C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.NC(=O)C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/C18H24N2O.C17H24N2O2S.C16H20ClN3O.C14H16ClN3O/c1-12(2)15-10-17(16-4-7-19-18(16)11-15)14-5-8-20(9-6-14)13(3)21;1-12(2)14-10-16(15-4-7-18-17(15)11-14)13-5-8-19(9-6-13)22(3,20)21;1-19(2)16(21)11-4-7-20(8-5-11)15-10-12(17)9-14-13(15)3-6-18-14;15-10-7-12-11(1-4-17-12)13(8-10)18-5-2-9(3-6-18)14(16)19/h4,7,10-12,14,19H,5-6,8-9H2,1-3H3;4,7,10-13,18H,5-6,8-9H2,1-3H3;3,6,9-11,18H,4-5,7-8H2,1-2H3;1,4,7-9,17H,2-3,5-6H2,(H2,16,19)
InChIKeyASGSADYHAVTGKC-UHFFFAOYSA-N
XLogP13.10
TPSA190.73 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001188.42
LogP ≤ 513.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;6-chloro-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
CID 157336861
1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159071231
1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
CID 159148457
1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;6-chloro-5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;6-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159222337
4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole
CID 159274634
6-chloro-4-[(3S,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxypropan-1-one;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 159576939
1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159664997
N-[2-(6-chloro-1H-indol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CID 159770354
6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 159992631
6-chloro-4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-carboxamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 160141447
7-(6-chloro-1H-indol-4-yl)-2,7-diazaspiro[3.5]nonane-2-sulfonamide;5-(6-chloro-1H-indol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1'-(6-chloro-1H-indol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole
CID 161582824
1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;6-chloro-5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 161789442

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone (CID 157214604) is 1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(C(C)C)cc3[nH]ccc23)CC1.CC(C)c1cc(C2CCN(S(C)(=O)=O)CC2)c2cc[nH]c2c1.CN(C)C(=O)C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.NC(=O)C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.
What is the InChIKey of 1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone?
The InChIKey is ASGSADYHAVTGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O.C17H24N2O2S.C16H20ClN3O.C14H16ClN3O/c1-12(2)15-10-17(16-4-7-19-18(16)11-15)14-5-8-20(9-6-14)13(3)21;1-12(2)14-10-16(15-4-7-18-17(15)11-14)13-5-8-19(9-6-13)22(3,20)21;1-19(2)16(21)11-4-7-20(8-5-11)15-10-12(17)9-14-13(15)3-6-18-14;15-10-7-12-11(1-4-17-12)13(8-10)18-5-2-9(3-6-18)14(16)19/h4,7,10-12,14,19H,5-6,8-9H2,1-3H3;4,7,10-13,18H,5-6,8-9H2,1-3H3;3,6,9-11,18H,4-5,7-8H2,1-2H3;1,4,7-9,17H,2-3,5-6H2,(H2,16,19).
What are the key properties of 1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone?
1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone has a molecular weight of 1188.42 g/mol, XLogP of 13.10, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 157214604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).