(2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride

C17H21ClN2OS — CID 120620482

IUPAC(2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc(-c3cccs3)c2)CCN1.Cl
InChIInChI=1S/C17H20N2OS.ClH/c1-12-10-14(7-8-18-12)17(20)19-15-5-2-4-13(11-15)16-6-3-9-21-16;/h2-6,9,11-12,14,18H,7-8,10H2,1H3,(H,19,20);1H/t12-,14-;/m0./s1
InChIKeyFHWFEKGMBDOEEU-KYSPHBLOSA-N
MW336.89 g/mol
LogP4.16
Rot. Bonds3

About (2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120620482) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120620482
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC Name(2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc(-c3cccs3)c2)CCN1.Cl
InChIInChI=1S/C17H20N2OS.ClH/c1-12-10-14(7-8-18-12)17(20)19-15-5-2-4-13(11-15)16-6-3-9-21-16;/h2-6,9,11-12,14,18H,7-8,10H2,1H3,(H,19,20);1H/t12-,14-;/m0./s1
InChIKeyFHWFEKGMBDOEEU-KYSPHBLOSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)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,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 120619627
3-amino-N-(3-thiophen-2-ylphenyl)cyclopentane-1-carboxamide
CID 119708564
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
(2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 120618174
(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616575
2-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 106738709
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120626462
(2S,4S)-2-methyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120636893
(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120620603
(2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634916
(2S,4S)-N-[3-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620400

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride (CID 120620482) is (2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2cccc(-c3cccs3)c2)CCN1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is FHWFEKGMBDOEEU-KYSPHBLOSA-N. The full InChI is InChI=1S/C17H20N2OS.ClH/c1-12-10-14(7-8-18-12)17(20)19-15-5-2-4-13(11-15)16-6-3-9-21-16;/h2-6,9,11-12,14,18H,7-8,10H2,1H3,(H,19,20);1H/t12-,14-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 336.89 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120620482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).