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

C23H25ClN2O2 — CID 55586130

IUPAC[2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3CC3c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C23H25ClN2O2/c1-2-16-7-9-17(10-8-16)22(27)25-11-13-26(14-12-25)23(28)20-15-19(20)18-5-3-4-6-21(18)24/h3-10,19-20H,2,11-15H2,1H3
InChIKeyMQZNIUQAMXPQQN-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.99
Rot. Bonds4

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

[2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone (PubChem CID 55586130) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is [2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
PubChem CID55586130
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name[2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3CC3c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C23H25ClN2O2/c1-2-16-7-9-17(10-8-16)22(27)25-11-13-26(14-12-25)23(28)20-15-19(20)18-5-3-4-6-21(18)24/h3-10,19-20H,2,11-15H2,1H3
InChIKeyMQZNIUQAMXPQQN-UHFFFAOYSA-N
XLogP3.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone
CID 55550947
2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975159
[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 124695333
ethyl 5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 55692395
[2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55660699
[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 71936528
[2-(2-chlorophenyl)cyclopropyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112806323
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 19294945
[2-(2-chlorophenyl)cyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51291684
[2-(2-chlorophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022801
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 51292072

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone (CID 55586130) is [2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(C(=O)C3CC3c3ccccc3Cl)CC2)cc1.
What is the InChIKey of [2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is MQZNIUQAMXPQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c1-2-16-7-9-17(10-8-16)22(27)25-11-13-26(14-12-25)23(28)20-15-19(20)18-5-3-4-6-21(18)24/h3-10,19-20H,2,11-15H2,1H3.
What are the key properties of [2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone?
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 396.92 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55586130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).