[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone

C20H21ClN2O — CID 3243442

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESO=C(C1CC1c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H21ClN2O/c21-16-7-4-8-17(13-16)22-9-11-23(12-10-22)20(24)19-14-18(19)15-5-2-1-3-6-15/h1-8,13,18-19H,9-12,14H2
InChIKeyWMFOPLJIWZTKHV-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.79
Rot. Bonds3

About [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone (PubChem CID 3243442) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
PubChem CID3243442
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESO=C(C1CC1c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H21ClN2O/c21-16-7-4-8-17(13-16)22-9-11-23(12-10-22)20(24)19-14-18(19)15-5-2-1-3-6-15/h1-8,13,18-19H,9-12,14H2
InChIKeyWMFOPLJIWZTKHV-UHFFFAOYSA-N
XLogP3.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone (CID 3243442) is [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone is O=C(C1CC1c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
The InChIKey is WMFOPLJIWZTKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c21-16-7-4-8-17(13-16)22-9-11-23(12-10-22)20(24)19-14-18(19)15-5-2-1-3-6-15/h1-8,13,18-19H,9-12,14H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone has a molecular weight of 340.85 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 3243442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).