(4-benzoylpiperazin-1-yl)-cyclopropylmethanone

C15H18N2O2 — CID 776691

IUPAC(4-benzoylpiperazin-1-yl)-cyclopropylmethanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H18N2O2/c18-14(12-4-2-1-3-5-12)16-8-10-17(11-9-16)15(19)13-6-7-13/h1-5,13H,6-11H2
InChIKeyNOSFICDIDMGBJA-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.38
Rot. Bonds2

About (4-benzoylpiperazin-1-yl)-cyclopropylmethanone

(4-benzoylpiperazin-1-yl)-cyclopropylmethanone (PubChem CID 776691) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (4-benzoylpiperazin-1-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(4-benzoylpiperazin-1-yl)-cyclopropylmethanone
PubChem CID776691
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(4-benzoylpiperazin-1-yl)-cyclopropylmethanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H18N2O2/c18-14(12-4-2-1-3-5-12)16-8-10-17(11-9-16)15(19)13-6-7-13/h1-5,13H,6-11H2
InChIKeyNOSFICDIDMGBJA-UHFFFAOYSA-N
XLogP1.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-benzoylpiperazin-1-yl)-cyclopropylmethanone?
The IUPAC name of (4-benzoylpiperazin-1-yl)-cyclopropylmethanone (CID 776691) is (4-benzoylpiperazin-1-yl)-cyclopropylmethanone.
What is the SMILES notation for (4-benzoylpiperazin-1-yl)-cyclopropylmethanone?
The canonical SMILES for (4-benzoylpiperazin-1-yl)-cyclopropylmethanone is O=C(c1ccccc1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of (4-benzoylpiperazin-1-yl)-cyclopropylmethanone?
The InChIKey is NOSFICDIDMGBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14(12-4-2-1-3-5-12)16-8-10-17(11-9-16)15(19)13-6-7-13/h1-5,13H,6-11H2.
What are the key properties of (4-benzoylpiperazin-1-yl)-cyclopropylmethanone?
(4-benzoylpiperazin-1-yl)-cyclopropylmethanone has a molecular weight of 258.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylpiperazin-1-yl)-cyclopropylmethanone is sourced from PubChem (CID 776691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).