(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride

C14H25Cl2N3OS — CID 119830031

IUPAC(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)[C@@H]1CCCCN1)c1cccs1.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-17(2)12(13-7-5-9-19-13)10-16-14(18)11-6-3-4-8-15-11;;/h5,7,9,11-12,15H,3-4,6,8,10H2,1-2H3,(H,16,18);2*1H/t11-,12?;;/m0../s1
InChIKeyFMGOIBVRQWNQMH-VWTXCZJDSA-N
MW354.35 g/mol
LogP2.45
Rot. Bonds5

About (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride

(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119830031) has the molecular formula C14H25Cl2N3OS and a molecular weight of 354.35 g/mol. Its IUPAC name is (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119830031
Molecular FormulaC14H25Cl2N3OS
Molecular Weight354.35 g/mol
Exact Mass353.11
IUPAC Name(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)[C@@H]1CCCCN1)c1cccs1.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-17(2)12(13-7-5-9-19-13)10-16-14(18)11-6-3-4-8-15-11;;/h5,7,9,11-12,15H,3-4,6,8,10H2,1-2H3,(H,16,18);2*1H/t11-,12?;;/m0../s1
InChIKeyFMGOIBVRQWNQMH-VWTXCZJDSA-N
XLogP2.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631379
(2R)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-2-carboxamide
CID 104913652
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 64823053
N-(1-thiophen-2-ylpropyl)piperidine-2-carboxamide
CID 54964031
(2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119830989
N-(1-thiophen-2-ylethyl)azepane-2-carboxamide
CID 64563977
2-cyclohexyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 46522897
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 30834300
(2R)-N-[2-(dimethylamino)propyl]piperidine-2-carboxamide
CID 103814112
N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
CID 30834974
(2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119859201

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride (CID 119830031) is (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride is CN(C)C(CNC(=O)[C@@H]1CCCCN1)c1cccs1.Cl.Cl.
What is the InChIKey of (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is FMGOIBVRQWNQMH-VWTXCZJDSA-N. The full InChI is InChI=1S/C14H23N3OS.2ClH/c1-17(2)12(13-7-5-9-19-13)10-16-14(18)11-6-3-4-8-15-11;;/h5,7,9,11-12,15H,3-4,6,8,10H2,1-2H3,(H,16,18);2*1H/t11-,12?;;/m0../s1.
What are the key properties of (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride?
(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 354.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119830031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).