4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide

C29H37ClN4O — CID 10327255

IUPAC4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC(CNC(=O)N2CCC(c3c[nH]c4ccc(Cl)cc34)CC2)CC1
InChIInChI=1S/C29H37ClN4O/c1-33(2)29(23-6-4-3-5-7-23)14-10-21(11-15-29)19-32-28(35)34-16-12-22(13-17-34)26-20-31-27-9-8-24(30)18-25(26)27/h3-9,18,20-22,31H,10-17,19H2,1-2H3,(H,32,35)
InChIKeyADWGGHCNNYPISA-UHFFFAOYSA-N
MW493.10 g/mol
LogP6.36
Rot. Bonds5

About 4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide

4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide (PubChem CID 10327255) has the molecular formula C29H37ClN4O and a molecular weight of 493.10 g/mol. Its IUPAC name is 4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide
PubChem CID10327255
Molecular FormulaC29H37ClN4O
Molecular Weight493.10 g/mol
Exact Mass492.27
IUPAC Name4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC(CNC(=O)N2CCC(c3c[nH]c4ccc(Cl)cc34)CC2)CC1
InChIInChI=1S/C29H37ClN4O/c1-33(2)29(23-6-4-3-5-7-23)14-10-21(11-15-29)19-32-28(35)34-16-12-22(13-17-34)26-20-31-27-9-8-24(30)18-25(26)27/h3-9,18,20-22,31H,10-17,19H2,1-2H3,(H,32,35)
InChIKeyADWGGHCNNYPISA-UHFFFAOYSA-N
XLogP6.36
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.10
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
CID 10458949
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 113087483
4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide
CID 113087497
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
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide
CID 66831985
[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate
CID 69150882
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087492
propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate
CID 86837322
tert-butyl 4-(5-chloro-1H-indol-3-yl)piperidine-1-carboxylate;5-chloro-3-piperidin-4-yl-1H-indole;hydrochloride
CID 161384154
4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 134042470
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide
CID 24612421

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide (CID 10327255) is 4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide is CN(C)C1(c2ccccc2)CCC(CNC(=O)N2CCC(c3c[nH]c4ccc(Cl)cc34)CC2)CC1.
What is the InChIKey of 4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide?
The InChIKey is ADWGGHCNNYPISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClN4O/c1-33(2)29(23-6-4-3-5-7-23)14-10-21(11-15-29)19-32-28(35)34-16-12-22(13-17-34)26-20-31-27-9-8-24(30)18-25(26)27/h3-9,18,20-22,31H,10-17,19H2,1-2H3,(H,32,35).
What are the key properties of 4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide?
4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide has a molecular weight of 493.10 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 10327255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).