(2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide

C15H21F2N3O2 — CID 168877654

IUPAC(2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide
SMILESCCn1cc(C2CN([C@@H](C)C(N)=O)CCC2(F)F)ccc1=O
InChIInChI=1S/C15H21F2N3O2/c1-3-19-8-11(4-5-13(19)21)12-9-20(10(2)14(18)22)7-6-15(12,16)17/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H2,18,22)/t10-,12?/m0/s1
InChIKeyLJEVIUXFIBENPX-NUHJPDEHSA-N
MW313.35 g/mol
LogP1.17
Rot. Bonds4

About (2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide

(2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide (PubChem CID 168877654) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide
PubChem CID168877654
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name(2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide
SMILESCCn1cc(C2CN([C@@H](C)C(N)=O)CCC2(F)F)ccc1=O
InChIInChI=1S/C15H21F2N3O2/c1-3-19-8-11(4-5-13(19)21)12-9-20(10(2)14(18)22)7-6-15(12,16)17/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H2,18,22)/t10-,12?/m0/s1
InChIKeyLJEVIUXFIBENPX-NUHJPDEHSA-N
XLogP1.17
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 53506463
1-[2-(3-Methylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 16294278
1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72050206
2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 95328319
(2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide
CID 171359526
2-amino-4,4,4-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]butanamide
CID 20589516
2-amino-5,5,5-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 20589517
(2S)-2-amino-5,5,5-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 70086543
(2S)-2-amino-4,4,4-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]butanamide
CID 70087750
5-(2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl)-1-methylpyridin-2(1H)-one
CID 86716047
3,9-dimethyl-2-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123843475
N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 130216442

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide?
The IUPAC name of (2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide (CID 168877654) is (2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide is CCn1cc(C2CN([C@@H](C)C(N)=O)CCC2(F)F)ccc1=O.
What is the InChIKey of (2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide?
The InChIKey is LJEVIUXFIBENPX-NUHJPDEHSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-3-19-8-11(4-5-13(19)21)12-9-20(10(2)14(18)22)7-6-15(12,16)17/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H2,18,22)/t10-,12?/m0/s1.
What are the key properties of (2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide?
(2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide has a molecular weight of 313.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide is sourced from PubChem (CID 168877654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).