N-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

C19H21F3N4O — CID 91892469

IUPACN-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)16-12-17(25-13-24-16)26-10-7-15(8-11-26)18(27)23-9-6-14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2,(H,23,27)
InChIKeyMGIHESXNXXFBPJ-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.07
Rot. Bonds5

About N-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91892469) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91892469
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC NameN-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)16-12-17(25-13-24-16)26-10-7-15(8-11-26)18(27)23-9-6-14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2,(H,23,27)
InChIKeyMGIHESXNXXFBPJ-UHFFFAOYSA-N
XLogP3.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91892469) is N-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of N-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is MGIHESXNXXFBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c20-19(21,22)16-12-17(25-13-24-16)26-10-7-15(8-11-26)18(27)23-9-6-14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2,(H,23,27).
What are the key properties of N-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91892469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).