[4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone

C21H20Cl2N2O2 — CID 55550947

IUPAC[4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)C2CC2c2ccccc2Cl)CC1
InChIInChI=1S/C21H20Cl2N2O2/c22-15-7-5-14(6-8-15)20(26)24-9-11-25(12-10-24)21(27)18-13-17(18)16-3-1-2-4-19(16)23/h1-8,17-18H,9-13H2
InChIKeyGPOCRSPNBFAKJT-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.08
Rot. Bonds3

About [4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone

[4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone (PubChem CID 55550947) has the molecular formula C21H20Cl2N2O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is [4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone
PubChem CID55550947
Molecular FormulaC21H20Cl2N2O2
Molecular Weight403.31 g/mol
Exact Mass402.09
IUPAC Name[4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)C2CC2c2ccccc2Cl)CC1
InChIInChI=1S/C21H20Cl2N2O2/c22-15-7-5-14(6-8-15)20(26)24-9-11-25(12-10-24)21(27)18-13-17(18)16-3-1-2-4-19(16)23/h1-8,17-18H,9-13H2
InChIKeyGPOCRSPNBFAKJT-UHFFFAOYSA-N
XLogP4.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 55586130
[2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55660699
[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 124695333
[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 71936528
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 51292072
[2-(2-chlorophenyl)cyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51291684
[2-(2-chlorophenyl)cyclopropyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112806323
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 51292018
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
[2-(2-chlorophenyl)cyclopropyl]-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 55948147
1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 124702859
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51291775

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone?
The IUPAC name of [4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone (CID 55550947) is [4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone?
The canonical SMILES for [4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(C(=O)C2CC2c2ccccc2Cl)CC1.
What is the InChIKey of [4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone?
The InChIKey is GPOCRSPNBFAKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2/c22-15-7-5-14(6-8-15)20(26)24-9-11-25(12-10-24)21(27)18-13-17(18)16-3-1-2-4-19(16)23/h1-8,17-18H,9-13H2.
What are the key properties of [4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone?
[4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone has a molecular weight of 403.31 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 55550947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).