2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one

C24H31N3O2 — CID 55572273

IUPAC2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(Nc1ccc(OC2CCCC2)cc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-19(25-20-11-13-23(14-12-20)29-22-9-5-6-10-22)24(28)27-17-15-26(16-18-27)21-7-3-2-4-8-21/h2-4,7-8,11-14,19,22,25H,5-6,9-10,15-18H2,1H3
InChIKeyUJDGBVWPIHPCRD-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.16
Rot. Bonds6

About 2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one

2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 55572273) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID55572273
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(Nc1ccc(OC2CCCC2)cc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-19(25-20-11-13-23(14-12-20)29-22-9-5-6-10-22)24(28)27-17-15-26(16-18-27)21-7-3-2-4-8-21/h2-4,7-8,11-14,19,22,25H,5-6,9-10,15-18H2,1H3
InChIKeyUJDGBVWPIHPCRD-UHFFFAOYSA-N
XLogP4.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one 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-(4-ethoxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17449282
(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25351776
2-(4-cyclopentyloxyanilino)-N-phenylpropanamide
CID 42950148
2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 82044614
1,1-dimethyl-3-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 110348022
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34310061
(2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide
CID 25345040
2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43123154
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one
CID 32508446
(2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25340673

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 55572273) is 2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one is CC(Nc1ccc(OC2CCCC2)cc1)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is UJDGBVWPIHPCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-19(25-20-11-13-23(14-12-20)29-22-9-5-6-10-22)24(28)27-17-15-26(16-18-27)21-7-3-2-4-8-21/h2-4,7-8,11-14,19,22,25H,5-6,9-10,15-18H2,1H3.
What are the key properties of 2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 393.53 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 55572273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).