(2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone

C23H31Cl2N3O2 — CID 93208208

IUPAC(2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCN([C@@H](C(=O)N2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C23H31Cl2N3O2/c24-19-9-8-18(16-20(19)25)22(29)28-14-12-26(13-15-28)21(17-6-2-3-7-17)23(30)27-10-4-1-5-11-27/h8-9,16-17,21H,1-7,10-15H2/t21-/m1/s1
InChIKeyNULLQLUCOSRWFV-OAQYLSRUSA-N
MW452.43 g/mol
LogP4.32
Rot. Bonds4

About (2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone

(2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 93208208) has the molecular formula C23H31Cl2N3O2 and a molecular weight of 452.43 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID93208208
Molecular FormulaC23H31Cl2N3O2
Molecular Weight452.43 g/mol
Exact Mass451.18
IUPAC Name(2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCN([C@@H](C(=O)N2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C23H31Cl2N3O2/c24-19-9-8-18(16-20(19)25)22(29)28-14-12-26(13-15-28)21(17-6-2-3-7-17)23(30)27-10-4-1-5-11-27/h8-9,16-17,21H,1-7,10-15H2/t21-/m1/s1
InChIKeyNULLQLUCOSRWFV-OAQYLSRUSA-N
XLogP4.32
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 46023982
2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 42842307
2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 46152855
(2S)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-ethylacetamide
CID 93210659
(2S)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-methyl-N-propylacetamide
CID 93208612
cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543908
1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
CID 42842330
(2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 93208410
2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 46024760
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
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of (2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 93208208) is (2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for (2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for (2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCN([C@@H](C(=O)N2CCCCC2)C2CCCC2)CC1.
What is the InChIKey of (2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is NULLQLUCOSRWFV-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H31Cl2N3O2/c24-19-9-8-18(16-20(19)25)22(29)28-14-12-26(13-15-28)21(17-6-2-3-7-17)23(30)27-10-4-1-5-11-27/h8-9,16-17,21H,1-7,10-15H2/t21-/m1/s1.
What are the key properties of (2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
(2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 452.43 g/mol, XLogP of 4.32, 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-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 93208208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).