(2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide

C15H19F2N3O3 — CID 137994880

IUPAC(2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide
SMILESCC1=CC(=CC(=O)N1)C(=O)N2CCCC[C@H]2C(=O)NCC(F)F
InChIInChI=1S/C15H19F2N3O3/c1-9-6-10(7-13(21)19-9)15(23)20-5-3-2-4-11(20)14(22)18-8-12(16)17/h6-7,11-12H,2-5,8H2,1H3,(H,18,22)(H,19,21)/t11-/m0/s1
InChIKeyAWEFOSUYMLENQM-NSHDSACASA-N
MW327.33 g/mol
LogP0.80
Rot. Bonds4

About (2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide

(2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide (PubChem CID 137994880) has the molecular formula C15H19F2N3O3 and a molecular weight of 327.33 g/mol. Its IUPAC name is (2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide
PubChem CID137994880
Molecular FormulaC15H19F2N3O3
Molecular Weight327.33 g/mol
Exact Mass327.14
IUPAC Name(2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide
SMILESCC1=CC(=CC(=O)N1)C(=O)N2CCCC[C@H]2C(=O)NCC(F)F
InChIInChI=1S/C15H19F2N3O3/c1-9-6-10(7-13(21)19-9)15(23)20-5-3-2-4-11(20)14(22)18-8-12(16)17/h6-7,11-12H,2-5,8H2,1H3,(H,18,22)(H,19,21)/t11-/m0/s1
InChIKeyAWEFOSUYMLENQM-NSHDSACASA-N
XLogP0.80
TPSA78.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity572

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 53506463
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide
CID 72046367
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide
CID 72046368
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72046372
1-(2-methylpropyl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)piperidine-2-carboxamide
CID 47882693
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 72046366
1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72050206
(2S)-2-acetamido-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 94026741
2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 95328319
4-[(3S)-3-aminopiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
CID 97894208
(2E,3E)-N-[6-[[(2E,4E)-4-aminohepta-2,4,6-trien-3-yl]amino]-6-oxohexyl]-2-ethylidene-3-(trifluoromethyl)hexa-3,5-dienamide
CID 88222060
N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide
CID 88892554

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide (CID 137994880) is (2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide is CC1=CC(=CC(=O)N1)C(=O)N2CCCC[C@H]2C(=O)NCC(F)F.
What is the InChIKey of (2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide?
The InChIKey is AWEFOSUYMLENQM-NSHDSACASA-N. The full InChI is InChI=1S/C15H19F2N3O3/c1-9-6-10(7-13(21)19-9)15(23)20-5-3-2-4-11(20)14(22)18-8-12(16)17/h6-7,11-12H,2-5,8H2,1H3,(H,18,22)(H,19,21)/t11-/m0/s1.
What are the key properties of (2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide?
(2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 137994880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).