1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide

C20H20ClFN2O2 — CID 25019703

IUPAC1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H20ClFN2O2/c21-17-11-16(22)10-9-15(17)12-23-20(26)18-7-4-8-19(25)24(18)13-14-5-2-1-3-6-14/h1-3,5-6,9-11,18H,4,7-8,12-13H2,(H,23,26)
InChIKeyJQZZWWPHSOFVCU-UHFFFAOYSA-N
MW374.84 g/mol
LogP3.68
Rot. Bonds5

About 1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide

1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide (PubChem CID 25019703) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is 1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide
PubChem CID25019703
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H20ClFN2O2/c21-17-11-16(22)10-9-15(17)12-23-20(26)18-7-4-8-19(25)24(18)13-14-5-2-1-3-6-14/h1-3,5-6,9-11,18H,4,7-8,12-13H2,(H,23,26)
InChIKeyJQZZWWPHSOFVCU-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide (CID 25019703) is 1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide is O=C(NCc1ccc(F)cc1Cl)C1CCCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide?
The InChIKey is JQZZWWPHSOFVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c21-17-11-16(22)10-9-15(17)12-23-20(26)18-7-4-8-19(25)24(18)13-14-5-2-1-3-6-14/h1-3,5-6,9-11,18H,4,7-8,12-13H2,(H,23,26).
What are the key properties of 1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide?
1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide has a molecular weight of 374.84 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 25019703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).