(2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride

C17H20ClF3N4O — CID 120625531

IUPAC(2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CCN1.Cl
InChIInChI=1S/C17H19F3N4O.ClH/c1-11-10-12(6-8-21-11)16(25)23-13-2-4-14(5-3-13)24-15(7-9-22-24)17(18,19)20;/h2-5,7,9,11-12,21H,6,8,10H2,1H3,(H,23,25);1H/t11-,12-;/m0./s1
InChIKeyBKGSIGIXVGKSOT-FXMYHANSSA-N
MW388.82 g/mol
LogP3.64
Rot. Bonds3

About (2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120625531) has the molecular formula C17H20ClF3N4O and a molecular weight of 388.82 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120625531
Molecular FormulaC17H20ClF3N4O
Molecular Weight388.82 g/mol
Exact Mass388.13
IUPAC Name(2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CCN1.Cl
InChIInChI=1S/C17H19F3N4O.ClH/c1-11-10-12(6-8-21-11)16(25)23-13-2-4-14(5-3-13)24-15(7-9-22-24)17(18,19)20;/h2-5,7,9,11-12,21H,6,8,10H2,1H3,(H,23,25);1H/t11-,12-;/m0./s1
InChIKeyBKGSIGIXVGKSOT-FXMYHANSSA-N
XLogP3.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-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

(2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide
CID 119748779
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 120639665
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
(2S,4S)-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619364
(2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120636884
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615898
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
2-thiomorpholin-3-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide;hydrochloride
CID 119937742

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride (CID 120625531) is (2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CCN1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is BKGSIGIXVGKSOT-FXMYHANSSA-N. The full InChI is InChI=1S/C17H19F3N4O.ClH/c1-11-10-12(6-8-21-11)16(25)23-13-2-4-14(5-3-13)24-15(7-9-22-24)17(18,19)20;/h2-5,7,9,11-12,21H,6,8,10H2,1H3,(H,23,25);1H/t11-,12-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 388.82 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120625531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).