N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide

C22H25ClN2O2 — CID 113005954

IUPACN-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(=O)NCCc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C22H25ClN2O2/c1-16-4-2-6-19(14-16)22(27)25-12-9-18(10-13-25)21(26)24-11-8-17-5-3-7-20(23)15-17/h2-7,14-15,18H,8-13H2,1H3,(H,24,26)
InChIKeyCGCOLWZNMXGAKM-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.86
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 113005954) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide
PubChem CID113005954
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(=O)NCCc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C22H25ClN2O2/c1-16-4-2-6-19(14-16)22(27)25-12-9-18(10-13-25)21(26)24-11-8-17-5-3-7-20(23)15-17/h2-7,14-15,18H,8-13H2,1H3,(H,24,26)
InChIKeyCGCOLWZNMXGAKM-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 113003453
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113005012
N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113005952
1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide
CID 90729185
N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007275
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55631090
1-[(3-chlorophenyl)methylsulfonyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 99951535
1-(3-acetylphenyl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 39730733
1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide
CID 113002623
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
N-[2-(3-chlorophenyl)ethyl]-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183307

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide (CID 113005954) is N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide is Cc1cccc(C(=O)N2CCC(C(=O)NCCc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is CGCOLWZNMXGAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-16-4-2-6-19(14-16)22(27)25-12-9-18(10-13-25)21(26)24-11-8-17-5-3-7-20(23)15-17/h2-7,14-15,18H,8-13H2,1H3,(H,24,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113005954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).