2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide

C19H23F3N4O2 — CID 75474520

IUPAC2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCOCC(=O)Nc1cn[nH]c1C1CCCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H23F3N4O2/c1-28-12-17(27)24-16-9-23-25-18(16)14-5-3-7-26(11-14)10-13-4-2-6-15(8-13)19(20,21)22/h2,4,6,8-9,14H,3,5,7,10-12H2,1H3,(H,23,25)(H,24,27)
InChIKeyOBLWXEBIGASVER-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.39
Rot. Bonds6

About 2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide

2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (PubChem CID 75474520) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
PubChem CID75474520
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC Name2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCOCC(=O)Nc1cn[nH]c1C1CCCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H23F3N4O2/c1-28-12-17(27)24-16-9-23-25-18(16)14-5-3-7-26(11-14)10-13-4-2-6-15(8-13)19(20,21)22/h2,4,6,8-9,14H,3,5,7,10-12H2,1H3,(H,23,25)(H,24,27)
InChIKeyOBLWXEBIGASVER-UHFFFAOYSA-N
XLogP3.39
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-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

Related Compounds

1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474473
2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97343992
N-[5-[(3R)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 97344485
N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 75474239
(3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 97343505
(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 42482466
3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
CID 45180592
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
3-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 63386578
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 57446055
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (CID 75474520) is 2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is COCC(=O)Nc1cn[nH]c1C1CCCN(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The InChIKey is OBLWXEBIGASVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-28-12-17(27)24-16-9-23-25-18(16)14-5-3-7-26(11-14)10-13-4-2-6-15(8-13)19(20,21)22/h2,4,6,8-9,14H,3,5,7,10-12H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide has a molecular weight of 396.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 75474520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).