2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C18H27N3O — CID 51176688

IUPAC2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)CC1
InChIInChI=1S/C18H27N3O/c1-20-10-12-21(13-11-20)17-8-6-16(7-9-17)19-18(22)14-15-4-2-3-5-15/h6-9,15H,2-5,10-14H2,1H3,(H,19,22)
InChIKeyKQUIXHBXUQBGSX-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.96
Rot. Bonds4

About 2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 51176688) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID51176688
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)CC1
InChIInChI=1S/C18H27N3O/c1-20-10-12-21(13-11-20)17-8-6-16(7-9-17)19-18(22)14-15-4-2-3-5-15/h6-9,15H,2-5,10-14H2,1H3,(H,19,22)
InChIKeyKQUIXHBXUQBGSX-UHFFFAOYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]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

2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide
CID 103162243
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
2-cyclopentyl-N-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetamide
CID 146274356
2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862093
1-(2-cyclohexylethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108888595
2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109006402
N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108505990
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006520
2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 64617395
N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 110754677

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 51176688) is 2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is KQUIXHBXUQBGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-20-10-12-21(13-11-20)17-8-6-16(7-9-17)19-18(22)14-15-4-2-3-5-15/h6-9,15H,2-5,10-14H2,1H3,(H,19,22).
What are the key properties of 2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 301.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 51176688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).