N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide

C21H29ClN2O2 — CID 24790429

IUPACN-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H29ClN2O2/c22-18-10-7-16(8-11-18)13-14-23-21(26)17-9-12-20(25)24(15-17)19-5-3-1-2-4-6-19/h7-8,10-11,17,19H,1-6,9,12-15H2,(H,23,26)
InChIKeyYYTPNGSUIDTDPB-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.96
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide (PubChem CID 24790429) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide
PubChem CID24790429
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H29ClN2O2/c22-18-10-7-16(8-11-18)13-14-23-21(26)17-9-12-20(25)24(15-17)19-5-3-1-2-4-6-19/h7-8,10-11,17,19H,1-6,9,12-15H2,(H,23,26)
InChIKeyYYTPNGSUIDTDPB-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10403949
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CID 16046127
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CID 875700
CID 875700
CID 2232369
CID 2232369
CID 22896750
CID 22896750
CID 24758045
CID 24758045
CID 24758047
CID 24758047
CID 24758173
CID 24758173
CID 24758743
CID 24758743
CID 24759740
CID 24759740

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide (CID 24790429) is N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
The InChIKey is YYTPNGSUIDTDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c22-18-10-7-16(8-11-18)13-14-23-21(26)17-9-12-20(25)24(15-17)19-5-3-1-2-4-6-19/h7-8,10-11,17,19H,1-6,9,12-15H2,(H,23,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).