1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

C11H13F3N4O — CID 2777795

IUPAC1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)8-1-4-16-10(17-8)18-5-2-7(3-6-18)9(15)19/h1,4,7H,2-3,5-6H2,(H2,15,19)
InChIKeyPPWADVMSINYMHN-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.20
Rot. Bonds2

About 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 2777795) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID2777795
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)8-1-4-16-10(17-8)18-5-2-7(3-6-18)9(15)19/h1,4,7H,2-3,5-6H2,(H2,15,19)
InChIKeyPPWADVMSINYMHN-UHFFFAOYSA-N
XLogP1.20
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 2777795) is 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is PPWADVMSINYMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)8-1-4-16-10(17-8)18-5-2-7(3-6-18)9(15)19/h1,4,7H,2-3,5-6H2,(H2,15,19).
What are the key properties of 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 274.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 2777795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).