3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide

C17H22F3N3O3 — CID 86994889

IUPAC3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C17H22F3N3O3/c1-11-4-5-13(15(25)21-10-17(18,19)20)7-14(11)22-16(26)23-6-2-3-12(8-23)9-24/h4-5,7,12,24H,2-3,6,8-10H2,1H3,(H,21,25)(H,22,26)
InChIKeyHFCFSLVHWNNPPU-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.52
Rot. Bonds4

About 3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide

3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 86994889) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide
PubChem CID86994889
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C17H22F3N3O3/c1-11-4-5-13(15(25)21-10-17(18,19)20)7-14(11)22-16(26)23-6-2-3-12(8-23)9-24/h4-5,7,12,24H,2-3,6,8-10H2,1H3,(H,21,25)(H,22,26)
InChIKeyHFCFSLVHWNNPPU-UHFFFAOYSA-N
XLogP2.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-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-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 71894903
3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119726113
(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 94161618
methyl 4-methyl-3-[[3-(methylsulfanylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 72889185
1-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 56555093
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 43403363
3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110907234
4-fluoro-N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 110903798
3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 47047691
(1R,6S)-6-[[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94599011

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide (CID 86994889) is 3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide is Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is HFCFSLVHWNNPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-11-4-5-13(15(25)21-10-17(18,19)20)7-14(11)22-16(26)23-6-2-3-12(8-23)9-24/h4-5,7,12,24H,2-3,6,8-10H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 86994889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).