1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide

C16H26N4O2S — CID 97062251

IUPAC1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide
SMILESCNC(=O)C1CCN(C(=O)NC[C@@H](c2cccs2)N(C)C)CC1
InChIInChI=1S/C16H26N4O2S/c1-17-15(21)12-6-8-20(9-7-12)16(22)18-11-13(19(2)3)14-5-4-10-23-14/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,17,21)(H,18,22)/t13-/m0/s1
InChIKeyCVGVQWJRWNREDH-ZDUSSCGKSA-N
MW338.48 g/mol
LogP1.52
Rot. Bonds5

About 1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide

1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide (PubChem CID 97062251) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide
PubChem CID97062251
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide
SMILESCNC(=O)C1CCN(C(=O)NC[C@@H](c2cccs2)N(C)C)CC1
InChIInChI=1S/C16H26N4O2S/c1-17-15(21)12-6-8-20(9-7-12)16(22)18-11-13(19(2)3)14-5-4-10-23-14/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,17,21)(H,18,22)/t13-/m0/s1
InChIKeyCVGVQWJRWNREDH-ZDUSSCGKSA-N
XLogP1.52
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42905460
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CID 94029999
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17499690
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124607017
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide
CID 55770108
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74233287
1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide
CID 115286098
1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 43223422
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4808890
1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide
CID 17482911
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
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2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide (CID 97062251) is 1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide is CNC(=O)C1CCN(C(=O)NC[C@@H](c2cccs2)N(C)C)CC1.
What is the InChIKey of 1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide?
The InChIKey is CVGVQWJRWNREDH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-17-15(21)12-6-8-20(9-7-12)16(22)18-11-13(19(2)3)14-5-4-10-23-14/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,17,21)(H,18,22)/t13-/m0/s1.
What are the key properties of 1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide?
1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 97062251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).