N-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide

C15H22N2O2S — CID 30768191

IUPACN-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCCN1CCC(NC(=O)CCC(=O)c2cccs2)CC1
InChIInChI=1S/C15H22N2O2S/c1-2-17-9-7-12(8-10-17)16-15(19)6-5-13(18)14-4-3-11-20-14/h3-4,11-12H,2,5-10H2,1H3,(H,16,19)
InChIKeyIMRMSECQFLPBNL-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.31
Rot. Bonds6

About N-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide

N-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 30768191) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID30768191
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCCN1CCC(NC(=O)CCC(=O)c2cccs2)CC1
InChIInChI=1S/C15H22N2O2S/c1-2-17-9-7-12(8-10-17)16-15(19)6-5-13(18)14-4-3-11-20-14/h3-4,11-12H,2,5-10H2,1H3,(H,16,19)
InChIKeyIMRMSECQFLPBNL-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide (CID 30768191) is N-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide is CCN1CCC(NC(=O)CCC(=O)c2cccs2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is IMRMSECQFLPBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-17-9-7-12(8-10-17)16-15(19)6-5-13(18)14-4-3-11-20-14/h3-4,11-12H,2,5-10H2,1H3,(H,16,19).
What are the key properties of N-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 294.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 30768191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).