4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide

C20H26ClN3O — CID 113087497

IUPAC4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C20H26ClN3O/c21-15-6-7-19-17(12-15)18(13-22-19)14-8-10-24(11-9-14)20(25)23-16-4-2-1-3-5-16/h6-7,12-14,16,22H,1-5,8-11H2,(H,23,25)
InChIKeyFNRRCEQDYPCCEQ-UHFFFAOYSA-N
MW359.90 g/mol
LogP5.04
Rot. Bonds2

About 4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide

4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide (PubChem CID 113087497) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is 4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide
PubChem CID113087497
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C20H26ClN3O/c21-15-6-7-19-17(12-15)18(13-22-19)14-8-10-24(11-9-14)20(25)23-16-4-2-1-3-5-16/h6-7,12-14,16,22H,1-5,8-11H2,(H,23,25)
InChIKeyFNRRCEQDYPCCEQ-UHFFFAOYSA-N
XLogP5.04
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.90
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 113087458
[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 113087464
(3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide
CID 126522636
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 113087483
1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide
CID 113210973
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087492
tert-butyl 4-(5-chloro-1H-indol-3-yl)piperidine-1-carboxylate;5-chloro-3-piperidin-4-yl-1H-indole;hydrochloride
CID 161384154
4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide
CID 10327255
4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one
CID 18414110
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide
CID 66831985

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide?
The IUPAC name of 4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide (CID 113087497) is 4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide?
The InChIKey is FNRRCEQDYPCCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c21-15-6-7-19-17(12-15)18(13-22-19)14-8-10-24(11-9-14)20(25)23-16-4-2-1-3-5-16/h6-7,12-14,16,22H,1-5,8-11H2,(H,23,25).
What are the key properties of 4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide?
4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide has a molecular weight of 359.90 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide is sourced from PubChem (CID 113087497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).