2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone

C24H35N3O2 — CID 46152855

IUPAC2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCc1cccc(C(=O)N2CCN(C(C(=O)N3CCCCC3)C3CCCC3)CC2)c1
InChIInChI=1S/C24H35N3O2/c1-19-8-7-11-21(18-19)23(28)27-16-14-25(15-17-27)22(20-9-3-4-10-20)24(29)26-12-5-2-6-13-26/h7-8,11,18,20,22H,2-6,9-10,12-17H2,1H3
InChIKeyYMKOISOSQVTSLG-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.32
Rot. Bonds4

About 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 46152855) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID46152855
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCc1cccc(C(=O)N2CCN(C(C(=O)N3CCCCC3)C3CCCC3)CC2)c1
InChIInChI=1S/C24H35N3O2/c1-19-8-7-11-21(18-19)23(28)27-16-14-25(15-17-27)22(20-9-3-4-10-20)24(29)26-12-5-2-6-13-26/h7-8,11,18,20,22H,2-6,9-10,12-17H2,1H3
InChIKeyYMKOISOSQVTSLG-UHFFFAOYSA-N
XLogP3.32
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone 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

(2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 93208373
2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110354943
(2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 93208208
2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 42842307
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 46023982
(2S)-2-amino-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 119282271
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 38217781
2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 42842791
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide
CID 93221756
(2S)-2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
CID 93210398
1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
CID 42842330

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 46152855) is 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone is Cc1cccc(C(=O)N2CCN(C(C(=O)N3CCCCC3)C3CCCC3)CC2)c1.
What is the InChIKey of 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is YMKOISOSQVTSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-19-8-7-11-21(18-19)23(28)27-16-14-25(15-17-27)22(20-9-3-4-10-20)24(29)26-12-5-2-6-13-26/h7-8,11,18,20,22H,2-6,9-10,12-17H2,1H3.
What are the key properties of 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 397.56 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 46152855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).