(3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C14H17F3N2O2 — CID 151249599

IUPAC(3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(c2ccc(CO)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)12-6-11(4-3-10(12)8-20)19-5-1-2-9(7-19)13(18)21/h3-4,6,9,20H,1-2,5,7-8H2,(H2,18,21)/t9-/m1/s1
InChIKeyNSAQGSQMZSOFLS-SECBINFHSA-N
MW302.30 g/mol
LogP1.90
Rot. Bonds3

About (3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

(3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 151249599) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is (3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID151249599
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name(3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(c2ccc(CO)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)12-6-11(4-3-10(12)8-20)19-5-1-2-9(7-19)13(18)21/h3-4,6,9,20H,1-2,5,7-8H2,(H2,18,21)/t9-/m1/s1
InChIKeyNSAQGSQMZSOFLS-SECBINFHSA-N
XLogP1.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze (3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-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

2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107227083
ethyl (3S)-1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 59410086
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 117008299
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 16787596
1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 16784735
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide
CID 79603233
1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide
CID 107275706
5-(3-carbamoylpiperidin-1-yl)-2-nitrobenzoic acid
CID 43176699
2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107226950

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 151249599) is (3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(c2ccc(CO)c(C(F)(F)F)c2)C1.
What is the InChIKey of (3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is NSAQGSQMZSOFLS-SECBINFHSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)12-6-11(4-3-10(12)8-20)19-5-1-2-9(7-19)13(18)21/h3-4,6,9,20H,1-2,5,7-8H2,(H2,18,21)/t9-/m1/s1.
What are the key properties of (3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
(3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 151249599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).