1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

C20H20ClFN2O2 — CID 24790809

IUPAC1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClFN2O2/c21-17-8-5-14(6-9-17)12-24-13-16(7-10-19(24)25)20(26)23-11-15-3-1-2-4-18(15)22/h1-6,8-9,16H,7,10-13H2,(H,23,26)
InChIKeyLMBKOFFXSSRWDL-UHFFFAOYSA-N
MW374.84 g/mol
LogP3.53
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790809) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790809
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClFN2O2/c21-17-8-5-14(6-9-17)12-24-13-16(7-10-19(24)25)20(26)23-11-15-3-1-2-4-18(15)22/h1-6,8-9,16H,7,10-13H2,(H,23,26)
InChIKeyLMBKOFFXSSRWDL-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790809) is 1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is O=C(NCc1ccccc1F)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is LMBKOFFXSSRWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c21-17-8-5-14(6-9-17)12-24-13-16(7-10-19(24)25)20(26)23-11-15-3-1-2-4-18(15)22/h1-6,8-9,16H,7,10-13H2,(H,23,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 374.84 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).