N-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide

C20H27ClN2O2 — CID 24792074

IUPACN-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C20H27ClN2O2/c21-17-10-7-15(8-11-17)13-22-20(25)16-9-12-19(24)23(14-16)18-5-3-1-2-4-6-18/h7-8,10-11,16,18H,1-6,9,12-14H2,(H,22,25)
InChIKeyFTEVLJKMTPVTHT-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.92
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide (PubChem CID 24792074) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide
PubChem CID24792074
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC NameN-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C20H27ClN2O2/c21-17-10-7-15(8-11-17)13-22-20(25)16-9-12-19(24)23(14-16)18-5-3-1-2-4-6-18/h7-8,10-11,16,18H,1-6,9,12-14H2,(H,22,25)
InChIKeyFTEVLJKMTPVTHT-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide (CID 24792074) is N-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
The InChIKey is FTEVLJKMTPVTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c21-17-10-7-15(8-11-17)13-22-20(25)16-9-12-19(24)23(14-16)18-5-3-1-2-4-6-18/h7-8,10-11,16,18H,1-6,9,12-14H2,(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide has a molecular weight of 362.90 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24792074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).