(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride

C14H18ClF3N2O — CID 119679731

IUPAC(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCCN1
InChIInChI=1S/C14H17F3N2O.ClH/c15-14(16,17)11-5-3-4-10(8-11)9-19-13(20)12-6-1-2-7-18-12;/h3-5,8,12,18H,1-2,6-7,9H2,(H,19,20);1H/t12-;/m0./s1
InChIKeyFHUKXTTTWOWIBH-YDALLXLXSA-N
MW322.76 g/mol
LogP2.89
Rot. Bonds3

About (2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride

(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119679731) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is (2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119679731
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCCN1
InChIInChI=1S/C14H17F3N2O.ClH/c15-14(16,17)11-5-3-4-10(8-11)9-19-13(20)12-6-1-2-7-18-12;/h3-5,8,12,18H,1-2,6-7,9H2,(H,19,20);1H/t12-;/m0./s1
InChIKeyFHUKXTTTWOWIBH-YDALLXLXSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride 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-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride
CID 119316485
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119671263
(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119714472
N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494
N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119847432
(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119705503

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride (CID 119679731) is (2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is FHUKXTTTWOWIBH-YDALLXLXSA-N. The full InChI is InChI=1S/C14H17F3N2O.ClH/c15-14(16,17)11-5-3-4-10(8-11)9-19-13(20)12-6-1-2-7-18-12;/h3-5,8,12,18H,1-2,6-7,9H2,(H,19,20);1H/t12-;/m0./s1.
What are the key properties of (2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 322.76 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119679731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).