N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide

C21H26N4OS — CID 47535207

IUPACN-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
SMILESN#CCCN(C(=O)CN1CCN(CCc2cccs2)CC1)c1ccccc1
InChIInChI=1S/C21H26N4OS/c22-10-5-11-25(19-6-2-1-3-7-19)21(26)18-24-15-13-23(14-16-24)12-9-20-8-4-17-27-20/h1-4,6-8,17H,5,9,11-16,18H2
InChIKeyKBRJVXLUBFLNRC-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.86
Rot. Bonds8

About N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide

N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide (PubChem CID 47535207) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
PubChem CID47535207
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
SMILESN#CCCN(C(=O)CN1CCN(CCc2cccs2)CC1)c1ccccc1
InChIInChI=1S/C21H26N4OS/c22-10-5-11-25(19-6-2-1-3-7-19)21(26)18-24-15-13-23(14-16-24)12-9-20-8-4-17-27-20/h1-4,6-8,17H,5,9,11-16,18H2
InChIKeyKBRJVXLUBFLNRC-UHFFFAOYSA-N
XLogP2.86
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide
CID 78792864
N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 134001832
N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 78789242
2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 171479446
N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 78808493
2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 168975865
N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide
CID 51271554
N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 110881384
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 95761889
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 24565043
2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide
CID 47019444

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide (CID 47535207) is N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide is N#CCCN(C(=O)CN1CCN(CCc2cccs2)CC1)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide?
The InChIKey is KBRJVXLUBFLNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c22-10-5-11-25(19-6-2-1-3-7-19)21(26)18-24-15-13-23(14-16-24)12-9-20-8-4-17-27-20/h1-4,6-8,17H,5,9,11-16,18H2.
What are the key properties of N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide?
N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide has a molecular weight of 382.53 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 47535207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).