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

C22H25ClN2O2 — CID 44571111

IUPAC1-[4-[2-(3-chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1CCc1cccc(Cl)c1
InChIInChI=1S/C22H25ClN2O2/c1-15-13-19(22(27)25-11-9-18(10-12-25)21(24)26)8-7-17(15)6-5-16-3-2-4-20(23)14-16/h2-4,7-8,13-14,18H,5-6,9-12H2,1H3,(H2,24,26)
InChIKeyDEJPSJWVRDDMJR-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.77
Rot. Bonds5

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

1-[4-[2-(3-chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide (PubChem CID 44571111) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-[4-[2-(3-chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(3-chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide
PubChem CID44571111
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-[4-[2-(3-chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1CCc1cccc(Cl)c1
InChIInChI=1S/C22H25ClN2O2/c1-15-13-19(22(27)25-11-9-18(10-12-25)21(24)26)8-7-17(15)6-5-16-3-2-4-20(23)14-16/h2-4,7-8,13-14,18H,5-6,9-12H2,1H3,(H2,24,26)
InChIKeyDEJPSJWVRDDMJR-UHFFFAOYSA-N
XLogP3.77
TPSA63.40 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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[2-(3-chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide (CID 44571111) is 1-[4-[2-(3-chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[2-(3-chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[2-(3-chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide is Cc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1CCc1cccc(Cl)c1.
What is the InChIKey of 1-[4-[2-(3-chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide?
The InChIKey is DEJPSJWVRDDMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-15-13-19(22(27)25-11-9-18(10-12-25)21(24)26)8-7-17(15)6-5-16-3-2-4-20(23)14-16/h2-4,7-8,13-14,18H,5-6,9-12H2,1H3,(H2,24,26).
What are the key properties of 1-[4-[2-(3-chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide?
1-[4-[2-(3-chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 44571111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).