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

C14H16ClFN2O2 — CID 146133050

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCN1C(=O)CCCC1C(=O)NCc1ccc(Cl)cc1F
InChIInChI=1S/C14H16ClFN2O2/c1-18-12(3-2-4-13(18)19)14(20)17-8-9-5-6-10(15)7-11(9)16/h5-7,12H,2-4,8H2,1H3,(H,17,20)
InChIKeyOUBHPUJCVJIENR-UHFFFAOYSA-N
MW298.74 g/mol
LogP2.11
Rot. Bonds3

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

N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide (PubChem CID 146133050) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.74 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide
PubChem CID146133050
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.74 g/mol
Exact Mass298.09
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCN1C(=O)CCCC1C(=O)NCc1ccc(Cl)cc1F
InChIInChI=1S/C14H16ClFN2O2/c1-18-12(3-2-4-13(18)19)14(20)17-8-9-5-6-10(15)7-11(9)16/h5-7,12H,2-4,8H2,1H3,(H,17,20)
InChIKeyOUBHPUJCVJIENR-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide (CID 146133050) is N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide is CN1C(=O)CCCC1C(=O)NCc1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide?
The InChIKey is OUBHPUJCVJIENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-18-12(3-2-4-13(18)19)14(20)17-8-9-5-6-10(15)7-11(9)16/h5-7,12H,2-4,8H2,1H3,(H,17,20).
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide?
N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide has a molecular weight of 298.74 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146133050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).