N-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

C19H21F3N4O — CID 91809798

IUPACN-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccccc1
InChIInChI=1S/C19H21F3N4O/c1-13(14-5-3-2-4-6-14)25-18(27)15-7-9-26(10-8-15)17-11-16(19(20,21)22)23-12-24-17/h2-6,11-13,15H,7-10H2,1H3,(H,25,27)
InChIKeyFIYJECQFPIUHLH-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.59
Rot. Bonds4

About N-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91809798) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is N-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91809798
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC NameN-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccccc1
InChIInChI=1S/C19H21F3N4O/c1-13(14-5-3-2-4-6-14)25-18(27)15-7-9-26(10-8-15)17-11-16(19(20,21)22)23-12-24-17/h2-6,11-13,15H,7-10H2,1H3,(H,25,27)
InChIKeyFIYJECQFPIUHLH-UHFFFAOYSA-N
XLogP3.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91809798) is N-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is FIYJECQFPIUHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-13(14-5-3-2-4-6-14)25-18(27)15-7-9-26(10-8-15)17-11-16(19(20,21)22)23-12-24-17/h2-6,11-13,15H,7-10H2,1H3,(H,25,27).
What are the key properties of N-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91809798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).