N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride

C17H21ClN2OS — CID 119314158

IUPACN-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(C1CCNCC1)N(Cc1ccsc1)c1ccccc1
InChIInChI=1S/C17H20N2OS.ClH/c20-17(15-6-9-18-10-7-15)19(12-14-8-11-21-13-14)16-4-2-1-3-5-16;/h1-5,8,11,13,15,18H,6-7,9-10,12H2;1H
InChIKeyATMOWGSTDWGWMN-UHFFFAOYSA-N
MW336.89 g/mol
LogP3.70
Rot. Bonds4

About N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride

N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119314158) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119314158
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC NameN-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(C1CCNCC1)N(Cc1ccsc1)c1ccccc1
InChIInChI=1S/C17H20N2OS.ClH/c20-17(15-6-9-18-10-7-15)19(12-14-8-11-21-13-14)16-4-2-1-3-5-16;/h1-5,8,11,13,15,18H,6-7,9-10,12H2;1H
InChIKeyATMOWGSTDWGWMN-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674156
(3S)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592122
trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 124591120
(3R)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592121
2-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976864
trans-(1S,2S)-2-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129466411
(4S)-1-methyl-2-oxo-N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide
CID 95331565
N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 119767436
5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
CID 119767433
N-[2-(dimethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 119867193
N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 63006718
N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119670332

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride (CID 119314158) is N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(C1CCNCC1)N(Cc1ccsc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is ATMOWGSTDWGWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS.ClH/c20-17(15-6-9-18-10-7-15)19(12-14-8-11-21-13-14)16-4-2-1-3-5-16;/h1-5,8,11,13,15,18H,6-7,9-10,12H2;1H.
What are the key properties of N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 336.89 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119314158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).