phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride

C18H19ClN2O2 — CID 138999143

IUPACphenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)c1ccccc1C(=O)N1CCNCC1
InChIInChI=1S/C18H18N2O2.ClH/c21-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)18(22)20-12-10-19-11-13-20;/h1-9,19H,10-13H2;1H
InChIKeyXFVQOBZWBHGOMU-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.38
Rot. Bonds3

About phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride

phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride (PubChem CID 138999143) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Namephenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride
PubChem CID138999143
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Namephenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)c1ccccc1C(=O)N1CCNCC1
InChIInChI=1S/C18H18N2O2.ClH/c21-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)18(22)20-12-10-19-11-13-20;/h1-9,19H,10-13H2;1H
InChIKeyXFVQOBZWBHGOMU-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperazine-1-carbonyl)benzoyl chloride
CID 82511837
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
[2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone
CID 82509255
piperazin-1-yl-(2-propan-2-ylphenyl)methanone
CID 82510229
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone
CID 38031441
[2-(4-benzoyl-1,4-diazepane-1-carbonyl)phenyl]-(4-bromophenyl)methanone
CID 36616294
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
(2-bromophenyl)-(1,4-diazepan-1-yl)methanone
CID 16771837
[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 110886887
[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9467029

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride?
The IUPAC name of phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride (CID 138999143) is phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride?
The canonical SMILES for phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride is Cl.O=C(c1ccccc1)c1ccccc1C(=O)N1CCNCC1.
What is the InChIKey of phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride?
The InChIKey is XFVQOBZWBHGOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2.ClH/c21-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)18(22)20-12-10-19-11-13-20;/h1-9,19H,10-13H2;1H.
What are the key properties of phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride?
phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride has a molecular weight of 330.82 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 138999143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).