1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one

C14H21F2N3O — CID 148924042

IUPAC1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one
SMILESCCNc1cccn(C2CCN(CC(F)F)CC2)c1=O
InChIInChI=1S/C14H21F2N3O/c1-2-17-12-4-3-7-19(14(12)20)11-5-8-18(9-6-11)10-13(15)16/h3-4,7,11,13,17H,2,5-6,8-10H2,1H3
InChIKeyPKQIUVOEOOJHAA-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.18
Rot. Bonds5

About 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one (PubChem CID 148924042) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one
PubChem CID148924042
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one
SMILESCCNc1cccn(C2CCN(CC(F)F)CC2)c1=O
InChIInChI=1S/C14H21F2N3O/c1-2-17-12-4-3-7-19(14(12)20)11-5-8-18(9-6-11)10-13(15)16/h3-4,7,11,13,17H,2,5-6,8-10H2,1H3
InChIKeyPKQIUVOEOOJHAA-UHFFFAOYSA-N
XLogP2.18
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide
CID 45268244
1-Methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one
CID 171346454
N-(1-acetylpiperidin-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 45807140
6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 164640688
N-(2,2-difluoroethyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422378
2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-6-carboxamide
CID 118422381
5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one
CID 130377235
4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)amino]piperidine-1-carboxylic acid
CID 132211447
tert-butyl 4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)amino]piperidine-1-carboxylate
CID 132224869
5-Fluoro-1-(1-methylpiperidin-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449036
1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449077
1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449078

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one?
The IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one (CID 148924042) is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one is CCNc1cccn(C2CCN(CC(F)F)CC2)c1=O.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one?
The InChIKey is PKQIUVOEOOJHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-2-17-12-4-3-7-19(14(12)20)11-5-8-18(9-6-11)10-13(15)16/h3-4,7,11,13,17H,2,5-6,8-10H2,1H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one?
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one has a molecular weight of 285.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(ethylamino)pyridin-2-one is sourced from PubChem (CID 148924042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).