2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide

C19H21F3N4O2 — CID 2796256

IUPAC2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide
SMILESCOc1cccc(CC(=O)NC2CCN(c3nccc(C(F)(F)F)n3)CC2)c1
InChIInChI=1S/C19H21F3N4O2/c1-28-15-4-2-3-13(11-15)12-17(27)24-14-6-9-26(10-7-14)18-23-8-5-16(25-18)19(20,21)22/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,24,27)
InChIKeyYDXSMURKJCFHQQ-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.83
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide

2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide (PubChem CID 2796256) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide
PubChem CID2796256
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide
SMILESCOc1cccc(CC(=O)NC2CCN(c3nccc(C(F)(F)F)n3)CC2)c1
InChIInChI=1S/C19H21F3N4O2/c1-28-15-4-2-3-13(11-15)12-17(27)24-14-6-9-26(10-7-14)18-23-8-5-16(25-18)19(20,21)22/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,24,27)
InChIKeyYDXSMURKJCFHQQ-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide 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 2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide (CID 2796256) is 2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide is COc1cccc(CC(=O)NC2CCN(c3nccc(C(F)(F)F)n3)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The InChIKey is YDXSMURKJCFHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-28-15-4-2-3-13(11-15)12-17(27)24-14-6-9-26(10-7-14)18-23-8-5-16(25-18)19(20,21)22/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,24,27).
What are the key properties of 2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide?
2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide has a molecular weight of 394.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 2796256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).