1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C12H15F3N4O — CID 42953128

IUPAC1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)8-18-10(20)9-3-1-6-19(7-9)11-16-4-2-5-17-11/h2,4-5,9H,1,3,6-8H2,(H,18,20)
InChIKeyVSUAVNXBFPHFEK-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.37
Rot. Bonds3

About 1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 42953128) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID42953128
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)8-18-10(20)9-3-1-6-19(7-9)11-16-4-2-5-17-11/h2,4-5,9H,1,3,6-8H2,(H,18,20)
InChIKeyVSUAVNXBFPHFEK-UHFFFAOYSA-N
XLogP1.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11516136
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CID 17590602
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CID 129930
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CID 47208637
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid cycloheptylamide
CID 3223374
[(1-Pyrimidin-2-yl-piperidine-3-carbonyl)-amino]-acetic acid ethyl ester
CID 644802
N-(2-methoxyethyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 645990
cis-(3,3-difluoroazetidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565586
trans-(3,3-difluoropyrrolidin-1-yl)((2S,4R)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565611
(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-ium-2-yl]methanone
CID 72199837
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
N-cyclopropyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 24792325

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 42953128) is 1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCCN(c2ncccn2)C1.
What is the InChIKey of 1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is VSUAVNXBFPHFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)8-18-10(20)9-3-1-6-19(7-9)11-16-4-2-5-17-11/h2,4-5,9H,1,3,6-8H2,(H,18,20).
What are the key properties of 1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42953128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).