N-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide

C22H24ClFN2O2 — CID 24794213

IUPACN-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C22H24ClFN2O2/c1-25(14-17-6-2-3-8-20(17)23)22(28)18-9-10-21(27)26(15-18)12-11-16-5-4-7-19(24)13-16/h2-8,13,18H,9-12,14-15H2,1H3
InChIKeyFCALKQNLQXKQNQ-UHFFFAOYSA-N
MW402.90 g/mol
LogP3.92
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 24794213) has the molecular formula C22H24ClFN2O2 and a molecular weight of 402.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID24794213
Molecular FormulaC22H24ClFN2O2
Molecular Weight402.90 g/mol
Exact Mass402.15
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C22H24ClFN2O2/c1-25(14-17-6-2-3-8-20(17)23)22(28)18-9-10-21(27)26(15-18)12-11-16-5-4-7-19(24)13-16/h2-8,13,18H,9-12,14-15H2,1H3
InChIKeyFCALKQNLQXKQNQ-UHFFFAOYSA-N
XLogP3.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 24794213) is N-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide is CN(Cc1ccccc1Cl)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is FCALKQNLQXKQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O2/c1-25(14-17-6-2-3-8-20(17)23)22(28)18-9-10-21(27)26(15-18)12-11-16-5-4-7-19(24)13-16/h2-8,13,18H,9-12,14-15H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 402.90 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24794213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).