(2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

C25H37N3O2 — CID 93208320

IUPAC(2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESCc1ccc(C(=O)N2CCN([C@@H](C(=O)N3CCCC[C@@H]3C)C3CCCC3)CC2)cc1
InChIInChI=1S/C25H37N3O2/c1-19-10-12-22(13-11-19)24(29)27-17-15-26(16-18-27)23(21-8-3-4-9-21)25(30)28-14-6-5-7-20(28)2/h10-13,20-21,23H,3-9,14-18H2,1-2H3/t20-,23+/m0/s1
InChIKeyYMYFFPRQGIFMJJ-NZQKXSOJSA-N
MW411.59 g/mol
LogP3.71
Rot. Bonds4

About (2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

(2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone (PubChem CID 93208320) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
PubChem CID93208320
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC Name(2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESCc1ccc(C(=O)N2CCN([C@@H](C(=O)N3CCCC[C@@H]3C)C3CCCC3)CC2)cc1
InChIInChI=1S/C25H37N3O2/c1-19-10-12-22(13-11-19)24(29)27-17-15-26(16-18-27)23(21-8-3-4-9-21)25(30)28-14-6-5-7-20(28)2/h10-13,20-21,23H,3-9,14-18H2,1-2H3/t20-,23+/m0/s1
InChIKeyYMYFFPRQGIFMJJ-NZQKXSOJSA-N
XLogP3.71
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone 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
(2R)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 93208375
(2R)-2-cyclopentyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 93208350
(2S)-2-cyclopentyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 93208347
(2R)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 93208356
[1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94861219
1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 93208314
4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42843501
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 46023982
1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
CID 42842330
1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 93208323
2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 46152855

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of (2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone (CID 93208320) is (2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for (2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for (2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone is Cc1ccc(C(=O)N2CCN([C@@H](C(=O)N3CCCC[C@@H]3C)C3CCCC3)CC2)cc1.
What is the InChIKey of (2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is YMYFFPRQGIFMJJ-NZQKXSOJSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-19-10-12-22(13-11-19)24(29)27-17-15-26(16-18-27)23(21-8-3-4-9-21)25(30)28-14-6-5-7-20(28)2/h10-13,20-21,23H,3-9,14-18H2,1-2H3/t20-,23+/m0/s1.
What are the key properties of (2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
(2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 411.59 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 93208320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).