N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide

C18H26N4O2 — CID 110881384

IUPACN-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
SMILESCC(C(=O)N(CCC#N)c1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C18H26N4O2/c1-16(21-12-10-20(11-13-21)14-15-23)18(24)22(9-5-8-19)17-6-3-2-4-7-17/h2-4,6-7,16,23H,5,9-15H2,1H3
InChIKeyPLEZSTMQKXRLKJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.93
Rot. Bonds7

About N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide

N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide (PubChem CID 110881384) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
PubChem CID110881384
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
SMILESCC(C(=O)N(CCC#N)c1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C18H26N4O2/c1-16(21-12-10-20(11-13-21)14-15-23)18(24)22(9-5-8-19)17-6-3-2-4-7-17/h2-4,6-7,16,23H,5,9-15H2,1H3
InChIKeyPLEZSTMQKXRLKJ-UHFFFAOYSA-N
XLogP0.93
TPSA70.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide 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-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 110881386
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 110897569
(2R)-2-[[2-cyanoethyl(phenyl)carbamoyl]amino]propanoic acid
CID 54991352
N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide
CID 79155764
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333757
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543827
N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide
CID 78792864
N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47535207
N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 79159548
N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide
CID 111489569
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 86919347

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide (CID 110881384) is N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide is CC(C(=O)N(CCC#N)c1ccccc1)N1CCN(CCO)CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide?
The InChIKey is PLEZSTMQKXRLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-16(21-12-10-20(11-13-21)14-15-23)18(24)22(9-5-8-19)17-6-3-2-4-7-17/h2-4,6-7,16,23H,5,9-15H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide?
N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide has a molecular weight of 330.43 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 110881384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).