2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide

C17H23ClN4O — CID 86909810

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CCC#N)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H23ClN4O/c1-14(17(23)20(2)9-5-8-19)21-10-12-22(13-11-21)16-7-4-3-6-15(16)18/h3-4,6-7,14H,5,9-13H2,1-2H3
InChIKeyPRIWQSWUXPIDHW-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.22
Rot. Bonds5

About 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide (PubChem CID 86909810) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide
PubChem CID86909810
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CCC#N)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H23ClN4O/c1-14(17(23)20(2)9-5-8-19)21-10-12-22(13-11-21)16-7-4-3-6-15(16)18/h3-4,6-7,14H,5,9-13H2,1-2H3
InChIKeyPRIWQSWUXPIDHW-UHFFFAOYSA-N
XLogP2.22
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide 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)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 86921194
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 17484909
N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide
CID 110880195
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 86911542
3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid
CID 43537419
4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide
CID 46056009
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide
CID 9445061
N-(2-cyanoethyl)-2-(3-fluoro-4-pyrrolidin-1-ylanilino)-N-methylpropanamide
CID 56805411
N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 110881384
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2-cyanoethyl)-N-methylacetamide
CID 46583611
N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
CID 42858943

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide (CID 86909810) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide is CC(C(=O)N(C)CCC#N)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide?
The InChIKey is PRIWQSWUXPIDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-14(17(23)20(2)9-5-8-19)21-10-12-22(13-11-21)16-7-4-3-6-15(16)18/h3-4,6-7,14H,5,9-13H2,1-2H3.
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide?
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide has a molecular weight of 334.85 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide is sourced from PubChem (CID 86909810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).