(2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C15H26ClN3OS — CID 120631379

IUPAC(2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCC(c2cccs2)N(C)C)CCN1.Cl
InChIInChI=1S/C15H25N3OS.ClH/c1-11-9-12(6-7-16-11)15(19)17-10-13(18(2)3)14-5-4-8-20-14;/h4-5,8,11-13,16H,6-7,9-10H2,1-3H3,(H,17,19);1H/t11-,12-,13?;/m0./s1
InChIKeyULFZOJAGDWGUFY-TVPPKBNJSA-N
MW331.91 g/mol
LogP2.28
Rot. Bonds5

About (2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120631379) has the molecular formula C15H26ClN3OS and a molecular weight of 331.91 g/mol. Its IUPAC name is (2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120631379
Molecular FormulaC15H26ClN3OS
Molecular Weight331.91 g/mol
Exact Mass331.15
IUPAC Name(2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCC(c2cccs2)N(C)C)CCN1.Cl
InChIInChI=1S/C15H25N3OS.ClH/c1-11-9-12(6-7-16-11)15(19)17-10-13(18(2)3)14-5-4-8-20-14;/h4-5,8,11-13,16H,6-7,9-10H2,1-3H3,(H,17,19);1H/t11-,12-,13?;/m0./s1
InChIKeyULFZOJAGDWGUFY-TVPPKBNJSA-N
XLogP2.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.91
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634916
(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride
CID 119830031
(2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 120631423
(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120631312
(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636390
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119830029
(2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120634583
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17499690
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 64823053
(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120636391
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74233287
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120631379) is (2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCC(c2cccs2)N(C)C)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ULFZOJAGDWGUFY-TVPPKBNJSA-N. The full InChI is InChI=1S/C15H25N3OS.ClH/c1-11-9-12(6-7-16-11)15(19)17-10-13(18(2)3)14-5-4-8-20-14;/h4-5,8,11-13,16H,6-7,9-10H2,1-3H3,(H,17,19);1H/t11-,12-,13?;/m0./s1.
What are the key properties of (2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 331.91 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120631379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).