5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one

C15H19F3N2O2 — CID 137334809

IUPAC5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESO=C(CCC(F)(F)F)N1CCC(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)6-3-14(22)20-7-4-11(5-8-20)9-12-1-2-13(21)19-10-12/h1-2,10-11H,3-9H2,(H,19,21)
InChIKeyWIRCXIKGAFSDAI-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.50
Rot. Bonds4

About 5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one

5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one (PubChem CID 137334809) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
PubChem CID137334809
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESO=C(CCC(F)(F)F)N1CCC(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)6-3-14(22)20-7-4-11(5-8-20)9-12-1-2-13(21)19-10-12/h1-2,10-11H,3-9H2,(H,19,21)
InChIKeyWIRCXIKGAFSDAI-UHFFFAOYSA-N
XLogP2.50
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676921
N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-4-yl}methyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 56710306
5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one
CID 97154346
1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2(1H)-one
CID 55171098
1-(Difluoromethyl)-4-piperidin-4-ylpyridin-2-one
CID 59627430
1-(Difluoromethyl)-5-piperidin-4-ylpyridin-2-one
CID 59627442
N-(2,2-difluorobutyl)-9-ethyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123247620
3,9-dimethyl-2-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123843475
2-(cyclohex-3-en-1-ylmethyl)-N-[2-(1,1-difluoropropoxy)ethyl]-6-methylisoquinoline-7-carboxamide
CID 123863199
N-[[1-[2-(pentylamino)acetyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 130216577
6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one
CID 143228143
N-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 143375390

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one (CID 137334809) is 5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one is O=C(CCC(F)(F)F)N1CCC(Cc2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
The InChIKey is WIRCXIKGAFSDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)6-3-14(22)20-7-4-11(5-8-20)9-12-1-2-13(21)19-10-12/h1-2,10-11H,3-9H2,(H,19,21).
What are the key properties of 5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one has a molecular weight of 316.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 137334809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).