1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide

C15H19F2N3O2 — CID 60501946

IUPAC1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1CC(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C15H19F2N3O2/c16-11-5-10(6-12(17)7-11)8-19-14(21)9-20-4-2-1-3-13(20)15(18)22/h5-7,13H,1-4,8-9H2,(H2,18,22)(H,19,21)
InChIKeyMRNXNTBTXFWJQQ-UHFFFAOYSA-N
MW311.33 g/mol
LogP0.92
Rot. Bonds5

About 1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide

1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 60501946) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
PubChem CID60501946
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1CC(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C15H19F2N3O2/c16-11-5-10(6-12(17)7-11)8-19-14(21)9-20-4-2-1-3-13(20)15(18)22/h5-7,13H,1-4,8-9H2,(H2,18,22)(H,19,21)
InChIKeyMRNXNTBTXFWJQQ-UHFFFAOYSA-N
XLogP0.92
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 17428154
(2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 40987983
2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916095
(2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide
CID 41292691
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 86789165
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide
CID 40918330
1-[(3,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 105404580
(2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 95625732
(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 41096237
(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 81493296
(2R)-1-[2-(3-methylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40987938

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide (CID 60501946) is 1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1CC(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of 1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is MRNXNTBTXFWJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c16-11-5-10(6-12(17)7-11)8-19-14(21)9-20-4-2-1-3-13(20)15(18)22/h5-7,13H,1-4,8-9H2,(H2,18,22)(H,19,21).
What are the key properties of 1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide?
1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 311.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 60501946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).