1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide

C30H36ClN3O — CID 50807756

IUPAC1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H36ClN3O/c31-27-12-10-24(11-13-27)21-34-28(20-26-8-4-5-9-29(26)34)22-33-18-15-25(16-19-33)30(35)32-17-14-23-6-2-1-3-7-23/h4-6,8-13,20,25H,1-3,7,14-19,21-22H2,(H,32,35)
InChIKeyRQXXCKYPZUCKPB-UHFFFAOYSA-N
MW490.09 g/mol
LogP6.56
Rot. Bonds8

About 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide

1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 50807756) has the molecular formula C30H36ClN3O and a molecular weight of 490.09 g/mol. Its IUPAC name is 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID50807756
Molecular FormulaC30H36ClN3O
Molecular Weight490.09 g/mol
Exact Mass489.25
IUPAC Name1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H36ClN3O/c31-27-12-10-24(11-13-27)21-34-28(20-26-8-4-5-9-29(26)34)22-33-18-15-25(16-19-33)30(35)32-17-14-23-6-2-1-3-7-23/h4-6,8-13,20,25H,1-3,7,14-19,21-22H2,(H,32,35)
InChIKeyRQXXCKYPZUCKPB-UHFFFAOYSA-N
XLogP6.56
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.09
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide
CID 50807588
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585885
1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 50807560
N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585883
N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807625
N-butyl-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807674
1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 50807695
[1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 50807824
N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585914
N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807642
1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 50807561
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46357381

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide (CID 50807756) is 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide is O=C(NCCC1=CCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is RQXXCKYPZUCKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClN3O/c31-27-12-10-24(11-13-27)21-34-28(20-26-8-4-5-9-29(26)34)22-33-18-15-25(16-19-33)30(35)32-17-14-23-6-2-1-3-7-23/h4-6,8-13,20,25H,1-3,7,14-19,21-22H2,(H,32,35).
What are the key properties of 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide?
1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 490.09 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 50807756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).