[4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone

C21H24N2O — CID 155560629

IUPAC[4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone
SMILESO=C(c1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C1CC1
InChIInChI=1S/C21H24N2O/c24-21(18-6-7-18)19-8-10-20(11-9-19)23-14-12-22(13-15-23)16-17-4-2-1-3-5-17/h1-5,8-11,18H,6-7,12-16H2
InChIKeyVEZJVFDLUWRICT-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.60
Rot. Bonds5

About [4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone

[4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone (PubChem CID 155560629) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is [4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone
PubChem CID155560629
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name[4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone
SMILESO=C(c1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C1CC1
InChIInChI=1S/C21H24N2O/c24-21(18-6-7-18)19-8-10-20(11-9-19)23-14-12-22(13-15-23)16-17-4-2-1-3-5-17/h1-5,8-11,18H,6-7,12-16H2
InChIKeyVEZJVFDLUWRICT-UHFFFAOYSA-N
XLogP3.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone?
The IUPAC name of [4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone (CID 155560629) is [4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone.
What is the SMILES notation for [4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone?
The canonical SMILES for [4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone is O=C(c1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C1CC1.
What is the InChIKey of [4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone?
The InChIKey is VEZJVFDLUWRICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(18-6-7-18)19-8-10-20(11-9-19)23-14-12-22(13-15-23)16-17-4-2-1-3-5-17/h1-5,8-11,18H,6-7,12-16H2.
What are the key properties of [4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone?
[4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone has a molecular weight of 320.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzylpiperazin-1-yl)phenyl]-cyclopropylmethanone is sourced from PubChem (CID 155560629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).