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

C19H21F3N4O — CID 91809800

IUPACN-(4-ethylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1
InChIInChI=1S/C19H21F3N4O/c1-2-13-3-5-15(6-4-13)25-18(27)14-7-9-26(10-8-14)17-11-16(19(20,21)22)23-12-24-17/h3-6,11-12,14H,2,7-10H2,1H3,(H,25,27)
InChIKeyLPCYCGGLQXVVHK-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.91
Rot. Bonds4

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

N-(4-ethylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91809800) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91809800
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC NameN-(4-ethylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1
InChIInChI=1S/C19H21F3N4O/c1-2-13-3-5-15(6-4-13)25-18(27)14-7-9-26(10-8-14)17-11-16(19(20,21)22)23-12-24-17/h3-6,11-12,14H,2,7-10H2,1H3,(H,25,27)
InChIKeyLPCYCGGLQXVVHK-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91809800) is N-(4-ethylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is CCc1ccc(NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is LPCYCGGLQXVVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-2-13-3-5-15(6-4-13)25-18(27)14-7-9-26(10-8-14)17-11-16(19(20,21)22)23-12-24-17/h3-6,11-12,14H,2,7-10H2,1H3,(H,25,27).
What are the key properties of N-(4-ethylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(4-ethylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91809800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).