4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide

C19H28F3N3O2 — CID 167131145

IUPAC4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide
SMILESCC(C)CC(C(N)=O)n1cc(CCN2CCCCC2)c(C(F)(F)F)cc1=O
InChIInChI=1S/C19H28F3N3O2/c1-13(2)10-16(18(23)27)25-12-14(6-9-24-7-4-3-5-8-24)15(11-17(25)26)19(20,21)22/h11-13,16H,3-10H2,1-2H3,(H2,23,27)
InChIKeyKASRCWIFIBRXHF-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.97
Rot. Bonds7

About 4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide

4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide (PubChem CID 167131145) has the molecular formula C19H28F3N3O2 and a molecular weight of 387.45 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide
PubChem CID167131145
Molecular FormulaC19H28F3N3O2
Molecular Weight387.45 g/mol
Exact Mass387.21
IUPAC Name4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide
SMILESCC(C)CC(C(N)=O)n1cc(CCN2CCCCC2)c(C(F)(F)F)cc1=O
InChIInChI=1S/C19H28F3N3O2/c1-13(2)10-16(18(23)27)25-12-14(6-9-24-7-4-3-5-8-24)15(11-17(25)26)19(20,21)22/h11-13,16H,3-10H2,1-2H3,(H2,23,27)
InChIKeyKASRCWIFIBRXHF-UHFFFAOYSA-N
XLogP2.97
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.97
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
4,5-dimethyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-triene-1-carboxamide
CID 123523693
(5R)-N-[[1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 130216094
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 4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide?
The IUPAC name of 4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide (CID 167131145) is 4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide.
What is the SMILES notation for 4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide?
The canonical SMILES for 4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide is CC(C)CC(C(N)=O)n1cc(CCN2CCCCC2)c(C(F)(F)F)cc1=O.
What is the InChIKey of 4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide?
The InChIKey is KASRCWIFIBRXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O2/c1-13(2)10-16(18(23)27)25-12-14(6-9-24-7-4-3-5-8-24)15(11-17(25)26)19(20,21)22/h11-13,16H,3-10H2,1-2H3,(H2,23,27).
What are the key properties of 4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide?
4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide has a molecular weight of 387.45 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-oxo-5-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)-1-pyridinyl]pentanamide is sourced from PubChem (CID 167131145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).