3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide

C13H17F3N4O2 — CID 136962389

IUPAC3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)CC(F)(F)F)CC2)n1
InChIInChI=1S/C13H17F3N4O2/c1-8-6-10(21)19-12(17-8)20-4-2-9(3-5-20)18-11(22)7-13(14,15)16/h6,9H,2-5,7H2,1H3,(H,18,22)(H,17,19,21)
InChIKeyGNIOUSSOSPWTEG-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.12
Rot. Bonds3

About 3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide

3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide (PubChem CID 136962389) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
PubChem CID136962389
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC Name3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)CC(F)(F)F)CC2)n1
InChIInChI=1S/C13H17F3N4O2/c1-8-6-10(21)19-12(17-8)20-4-2-9(3-5-20)18-11(22)7-13(14,15)16/h6,9H,2-5,7H2,1H3,(H,18,22)(H,17,19,21)
InChIKeyGNIOUSSOSPWTEG-UHFFFAOYSA-N
XLogP1.12
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Hydroxy-6-trifluoromethyl-pyrimidin-2-ylamino)-1-piperidin-1-yl-ethanone
CID 136048721
2-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 136325827
2-(4-aminopiperidin-1-yl)-6-methylpyrimidin-4(3H)-one dihydrochloride
CID 137017015
2-Pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 141392450
2-Methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 141392451
2-(4-Aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 97619980
2-[(3S)-3-aminopiperidin-1-yl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 97619981
2-[(3R)-3-aminopiperidin-1-yl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 97619982
2-(3-Aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 102549309
N-cyclopentyl-4-{[4-(difluoromethyl)-6-oxo-1,6-dihydropyrimidin-1-yl]methyl}piperidine-1-carboxamide
CID 126943828
ethyl 4-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 136388252
N-[3-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]propyl]acetamide
CID 136388268

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide (CID 136962389) is 3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide is Cc1cc(=O)[nH]c(N2CCC(NC(=O)CC(F)(F)F)CC2)n1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide?
The InChIKey is GNIOUSSOSPWTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c1-8-6-10(21)19-12(17-8)20-4-2-9(3-5-20)18-11(22)7-13(14,15)16/h6,9H,2-5,7H2,1H3,(H,18,22)(H,17,19,21).
What are the key properties of 3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide?
3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide has a molecular weight of 318.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 136962389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).