4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C21H29F3N2O2 — CID 59447830

IUPAC4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCC1(C(=O)NCc2cccc(C(F)(F)F)c2)CCN(CC2CCOCC2)CC1
InChIInChI=1S/C21H29F3N2O2/c1-20(7-9-26(10-8-20)15-16-5-11-28-12-6-16)19(27)25-14-17-3-2-4-18(13-17)21(22,23)24/h2-4,13,16H,5-12,14-15H2,1H3,(H,25,27)
InChIKeyFZNZWEOFMSWQCF-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.85
Rot. Bonds5

About 4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 59447830) has the molecular formula C21H29F3N2O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID59447830
Molecular FormulaC21H29F3N2O2
Molecular Weight398.47 g/mol
Exact Mass398.22
IUPAC Name4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCC1(C(=O)NCc2cccc(C(F)(F)F)c2)CCN(CC2CCOCC2)CC1
InChIInChI=1S/C21H29F3N2O2/c1-20(7-9-26(10-8-20)15-16-5-11-28-12-6-16)19(27)25-14-17-3-2-4-18(13-17)21(22,23)24/h2-4,13,16H,5-12,14-15H2,1H3,(H,25,27)
InChIKeyFZNZWEOFMSWQCF-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]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

Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 24956565
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide
CID 24954412
4-(aminomethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120918176
4-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 63125005
3-methyl-2-oxo-8-(oxolan-3-ylmethyl)-N-[2-[3-(trifluoromethyl)anilino]ethyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 123433893
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine
CID 115758041
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 63147825
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
(1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 142976719
8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 70813820

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 59447830) is 4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is CC1(C(=O)NCc2cccc(C(F)(F)F)c2)CCN(CC2CCOCC2)CC1.
What is the InChIKey of 4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is FZNZWEOFMSWQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3N2O2/c1-20(7-9-26(10-8-20)15-16-5-11-28-12-6-16)19(27)25-14-17-3-2-4-18(13-17)21(22,23)24/h2-4,13,16H,5-12,14-15H2,1H3,(H,25,27).
What are the key properties of 4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 59447830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).