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

C23H32ClN3O2 — CID 46023982

IUPAC2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(C(=O)N2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C23H32ClN3O2/c24-20-10-8-19(9-11-20)22(28)27-16-14-25(15-17-27)21(18-6-2-3-7-18)23(29)26-12-4-1-5-13-26/h8-11,18,21H,1-7,12-17H2
InChIKeyKBVRXKXCRGPJDG-UHFFFAOYSA-N
MW417.98 g/mol
LogP3.67
Rot. Bonds4

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

2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone (PubChem CID 46023982) has the molecular formula C23H32ClN3O2 and a molecular weight of 417.98 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
PubChem CID46023982
Molecular FormulaC23H32ClN3O2
Molecular Weight417.98 g/mol
Exact Mass417.22
IUPAC Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(C(=O)N2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C23H32ClN3O2/c24-20-10-8-19(9-11-20)22(28)27-16-14-25(15-17-27)21(18-6-2-3-7-18)23(29)26-12-4-1-5-13-26/h8-11,18,21H,1-7,12-17H2
InChIKeyKBVRXKXCRGPJDG-UHFFFAOYSA-N
XLogP3.67
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone with MolForge

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Related Compounds

(2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 93208208
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-propan-2-ylacetamide
CID 42842473
2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 42842307
1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
CID 42842330
2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 46152855
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 42842288
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-1-thiomorpholin-4-ylethanone
CID 46024160
1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone
CID 46024051
(2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 93208410
(2R)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 93208320
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 24719805

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone (CID 46023982) is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone is O=C(c1ccc(Cl)cc1)N1CCN(C(C(=O)N2CCCCC2)C2CCCC2)CC1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone?
The InChIKey is KBVRXKXCRGPJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O2/c24-20-10-8-19(9-11-20)22(28)27-16-14-25(15-17-27)21(18-6-2-3-7-18)23(29)26-12-4-1-5-13-26/h8-11,18,21H,1-7,12-17H2.
What are the key properties of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone?
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone has a molecular weight of 417.98 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 46023982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).