5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one

C13H20N2OS — CID 63661199

IUPAC5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one
SMILESCC(C)C(NC1CCC(=O)NC1)c1cccs1
InChIInChI=1S/C13H20N2OS/c1-9(2)13(11-4-3-7-17-11)15-10-5-6-12(16)14-8-10/h3-4,7,9-10,13,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyCAPSGCJBRLSWKM-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.31
Rot. Bonds4

About 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one

5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one (PubChem CID 63661199) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one
PubChem CID63661199
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one
SMILESCC(C)C(NC1CCC(=O)NC1)c1cccs1
InChIInChI=1S/C13H20N2OS/c1-9(2)13(11-4-3-7-17-11)15-10-5-6-12(16)14-8-10/h3-4,7,9-10,13,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyCAPSGCJBRLSWKM-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(6-oxopiperidin-3-yl)-2-thiophen-2-ylacetamide
CID 113279254
N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879
(2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 95281938
(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 94154276
N-methyl-6-oxo-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 112728802
5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one
CID 55246437
4-[[(1S)-1-thiophen-2-ylethyl]amino]azepan-2-one
CID 81409038
3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64594870
1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine
CID 43778771
N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine
CID 43225917
N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide
CID 107434506
1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine
CID 43771737

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one?
The IUPAC name of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one (CID 63661199) is 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one?
The canonical SMILES for 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one is CC(C)C(NC1CCC(=O)NC1)c1cccs1.
What is the InChIKey of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one?
The InChIKey is CAPSGCJBRLSWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)13(11-4-3-7-17-11)15-10-5-6-12(16)14-8-10/h3-4,7,9-10,13,15H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one?
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one has a molecular weight of 252.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one is sourced from PubChem (CID 63661199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).