(3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide

C15H23N3O2S — CID 97019926

IUPAC(3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CCC[C@@H](CC(N)=O)C1)c1ccsc1
InChIInChI=1S/C15H23N3O2S/c1-11(13-4-6-21-10-13)8-17-15(20)18-5-2-3-12(9-18)7-14(16)19/h4,6,10-12H,2-3,5,7-9H2,1H3,(H2,16,19)(H,17,20)/t11-,12+/m1/s1
InChIKeyGNEUSIZDILSFJV-NEPJUHHUSA-N
MW309.43 g/mol
LogP2.15
Rot. Bonds5

About (3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide

(3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide (PubChem CID 97019926) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is (3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide
PubChem CID97019926
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name(3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CCC[C@@H](CC(N)=O)C1)c1ccsc1
InChIInChI=1S/C15H23N3O2S/c1-11(13-4-6-21-10-13)8-17-15(20)18-5-2-3-12(9-18)7-14(16)19/h4,6,10-12H,2-3,5,7-9H2,1H3,(H2,16,19)(H,17,20)/t11-,12+/m1/s1
InChIKeyGNEUSIZDILSFJV-NEPJUHHUSA-N
XLogP2.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine
CID 115907862
1-[3-[[N'-methyl-N-(2-thiophen-3-ylpropyl)carbamimidoyl]amino]propyl]piperidine-3-carboxamide
CID 111703990
(3S)-3-(hydroxymethyl)-N-[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxamide
CID 99832587
3-oxo-N-(2-thiophen-3-ylpropyl)-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide
CID 86769691
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97019953
3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 120507437
(3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 96522618
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
3-(2-amino-2-oxoethyl)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 71865717
(3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide
CID 94023540

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide (CID 97019926) is (3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide is C[C@H](CNC(=O)N1CCC[C@@H](CC(N)=O)C1)c1ccsc1.
What is the InChIKey of (3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide?
The InChIKey is GNEUSIZDILSFJV-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11(13-4-6-21-10-13)8-17-15(20)18-5-2-3-12(9-18)7-14(16)19/h4,6,10-12H,2-3,5,7-9H2,1H3,(H2,16,19)(H,17,20)/t11-,12+/m1/s1.
What are the key properties of (3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide?
(3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide has a molecular weight of 309.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-amino-2-oxoethyl)-N-[(2S)-2-thiophen-3-ylpropyl]piperidine-1-carboxamide is sourced from PubChem (CID 97019926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).