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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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).