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

C19H21F3N4O2 — CID 91908806

IUPACN-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C19H21F3N4O2/c1-28-15-5-3-2-4-14(15)11-23-18(27)13-6-8-26(9-7-13)17-10-16(19(20,21)22)24-12-25-17/h2-5,10,12-13H,6-9,11H2,1H3,(H,23,27)
InChIKeyGWKMUIYXFSVYLH-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.04
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91908806) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91908806
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C19H21F3N4O2/c1-28-15-5-3-2-4-14(15)11-23-18(27)13-6-8-26(9-7-13)17-10-16(19(20,21)22)24-12-25-17/h2-5,10,12-13H,6-9,11H2,1H3,(H,23,27)
InChIKeyGWKMUIYXFSVYLH-UHFFFAOYSA-N
XLogP3.04
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91908806) is N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is COc1ccccc1CNC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is GWKMUIYXFSVYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-28-15-5-3-2-4-14(15)11-23-18(27)13-6-8-26(9-7-13)17-10-16(19(20,21)22)24-12-25-17/h2-5,10,12-13H,6-9,11H2,1H3,(H,23,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91908806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).