N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride

C20H22Cl2N4OS — CID 155512930

IUPACN-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
SMILESCl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)s1
InChIInChI=1S/C20H21ClN4OS.ClH/c1-25-17(9-11-23-25)18-6-7-19(27-18)20(26)24-16-12-22-10-8-15(16)13-2-4-14(21)5-3-13;/h2-7,9,11,15-16,22H,8,10,12H2,1H3,(H,24,26);1H/t15-,16+;/m0./s1
InChIKeyJOVIGUJPWLZAOE-IDVLALEDSA-N
MW437.40 g/mol
LogP4.10
Rot. Bonds4

About N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride

N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 155512930) has the molecular formula C20H22Cl2N4OS and a molecular weight of 437.40 g/mol. Its IUPAC name is N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID155512930
Molecular FormulaC20H22Cl2N4OS
Molecular Weight437.40 g/mol
Exact Mass436.09
IUPAC NameN-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
SMILESCl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)s1
InChIInChI=1S/C20H21ClN4OS.ClH/c1-25-17(9-11-23-25)18-6-7-19(27-18)20(26)24-16-12-22-10-8-15(16)13-2-4-14(21)5-3-13;/h2-7,9,11,15-16,22H,8,10,12H2,1H3,(H,24,26);1H/t15-,16+;/m0./s1
InChIKeyJOVIGUJPWLZAOE-IDVLALEDSA-N
XLogP4.10
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-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-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 155545798
5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120557411
2-fluoro-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)benzamide
CID 155555262
5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide
CID 121377081
5-(4-ethenyl-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide
CID 118408875
5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
CID 119426767
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-(2-ethylpyrazol-3-yl)-2-fluorobenzamide;hydrochloride
CID 164614857
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-yl]-2-fluorobenzamide;hydrochloride
CID 155558491
4-(4-bromo-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-difluorobenzamide;hydrochloride
CID 164624412
1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347434
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-3-ethyl-9-oxa-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraene-12-carboxamide
CID 169098707
(3S,4R)-4-(3,4-difluorophenyl)-N-[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]piperidine-3-carboxamide
CID 135274963

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride (CID 155512930) is N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride is Cl.Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is JOVIGUJPWLZAOE-IDVLALEDSA-N. The full InChI is InChI=1S/C20H21ClN4OS.ClH/c1-25-17(9-11-23-25)18-6-7-19(27-18)20(26)24-16-12-22-10-8-15(16)13-2-4-14(21)5-3-13;/h2-7,9,11,15-16,22H,8,10,12H2,1H3,(H,24,26);1H/t15-,16+;/m0./s1.
What are the key properties of N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride?
N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 437.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 155512930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).