(3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide

C15H24N4O2S — CID 94023540

IUPAC(3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide
SMILESCN(C)[C@@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccsc1
InChIInChI=1S/C15H24N4O2S/c1-18(2)13(12-5-7-22-10-12)8-17-14(20)11-4-3-6-19(9-11)15(16)21/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3,(H2,16,21)(H,17,20)/t11-,13-/m0/s1
InChIKeyIAUBXXGXHQCCRU-AAEUAGOBSA-N
MW324.45 g/mol
LogP1.26
Rot. Bonds5

About (3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide

(3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide (PubChem CID 94023540) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide
PubChem CID94023540
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name(3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide
SMILESCN(C)[C@@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccsc1
InChIInChI=1S/C15H24N4O2S/c1-18(2)13(12-5-7-22-10-12)8-17-14(20)11-4-3-6-19(9-11)15(16)21/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3,(H2,16,21)(H,17,20)/t11-,13-/m0/s1
InChIKeyIAUBXXGXHQCCRU-AAEUAGOBSA-N
XLogP1.26
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55660182
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 32634657
(3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 94799885
4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1,4-diazepane-1-carboxamide
CID 94030978
3-N-[(2S)-2-hydroxypropyl]piperidine-1,3-dicarboxamide
CID 83059648
3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide
CID 115612806
1-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide
CID 43060747
(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 32630812
1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 95161217
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide
CID 16931542
1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide
CID 55625377
1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 46592191

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide (CID 94023540) is (3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide is CN(C)[C@@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccsc1.
What is the InChIKey of (3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide?
The InChIKey is IAUBXXGXHQCCRU-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-18(2)13(12-5-7-22-10-12)8-17-14(20)11-4-3-6-19(9-11)15(16)21/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3,(H2,16,21)(H,17,20)/t11-,13-/m0/s1.
What are the key properties of (3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 94023540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).