(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride

C14H23ClN2OS — CID 120636609

IUPAC(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N(C)CCc2cccs2)CCN1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-11-10-12(5-7-15-11)14(17)16(2)8-6-13-4-3-9-18-13;/h3-4,9,11-12,15H,5-8,10H2,1-2H3;1H/t11-,12-;/m0./s1
InChIKeyMIMKQRHSJANNBD-FXMYHANSSA-N
MW302.87 g/mol
LogP2.56
Rot. Bonds4

About (2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride

(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120636609) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is (2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120636609
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N(C)CCc2cccs2)CCN1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-11-10-12(5-7-15-11)14(17)16(2)8-6-13-4-3-9-18-13;/h3-4,9,11-12,15H,5-8,10H2,1-2H3;1H/t11-,12-;/m0./s1
InChIKeyMIMKQRHSJANNBD-FXMYHANSSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119807064
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
N-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119267119
N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 106739419
(2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 124516580
thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate
CID 106743801
(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617248
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 120617754
(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120617586
4-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 79494578
(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120640700
N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388890

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride (CID 120636609) is (2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)N(C)CCc2cccs2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is MIMKQRHSJANNBD-FXMYHANSSA-N. The full InChI is InChI=1S/C14H22N2OS.ClH/c1-11-10-12(5-7-15-11)14(17)16(2)8-6-13-4-3-9-18-13;/h3-4,9,11-12,15H,5-8,10H2,1-2H3;1H/t11-,12-;/m0./s1.
What are the key properties of (2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride?
(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 302.87 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120636609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).