6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one

C20H23ClN4O — CID 73369799

IUPAC6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one
SMILESO=C1CC(c2ccccc2Cl)NC(N2CCN(c3ccccc3)CC2)N1
InChIInChI=1S/C20H23ClN4O/c21-17-9-5-4-8-16(17)18-14-19(26)23-20(22-18)25-12-10-24(11-13-25)15-6-2-1-3-7-15/h1-9,18,20,22H,10-14H2,(H,23,26)
InChIKeyIBZYDNLZVSAUNE-UHFFFAOYSA-N
MW370.88 g/mol
LogP2.60
Rot. Bonds3

About 6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one

6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one (PubChem CID 73369799) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one
PubChem CID73369799
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one
SMILESO=C1CC(c2ccccc2Cl)NC(N2CCN(c3ccccc3)CC2)N1
InChIInChI=1S/C20H23ClN4O/c21-17-9-5-4-8-16(17)18-14-19(26)23-20(22-18)25-12-10-24(11-13-25)15-6-2-1-3-7-15/h1-9,18,20,22H,10-14H2,(H,23,26)
InChIKeyIBZYDNLZVSAUNE-UHFFFAOYSA-N
XLogP2.60
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one
CID 78248250
6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one
CID 73369318
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one
CID 73369312
(5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one
CID 92951788
6-(2-chlorophenyl)-2-phenyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
CID 74661619
4-amino-5-(2-chlorophenyl)pyrrolidin-2-one
CID 82284114
(2S,3R,6R)-2,6-bis(2-chlorophenyl)-3-phenylpiperidin-4-one
CID 56669929
4-[4-[(5R)-1-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperazin-1-yl]benzoic acid
CID 171769087
3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione
CID 106820358
3-[4-(2-chlorophenyl)piperazin-1-yl]azepan-2-one
CID 17426374
8-chloro-2-[3-(4-phenylpiperazin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one
CID 135546625
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutyl)-1,3-diazinan-4-one
CID 85462091

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one?
The IUPAC name of 6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one (CID 73369799) is 6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one.
What is the SMILES notation for 6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one?
The canonical SMILES for 6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one is O=C1CC(c2ccccc2Cl)NC(N2CCN(c3ccccc3)CC2)N1.
What is the InChIKey of 6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one?
The InChIKey is IBZYDNLZVSAUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c21-17-9-5-4-8-16(17)18-14-19(26)23-20(22-18)25-12-10-24(11-13-25)15-6-2-1-3-7-15/h1-9,18,20,22H,10-14H2,(H,23,26).
What are the key properties of 6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one?
6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one has a molecular weight of 370.88 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one is sourced from PubChem (CID 73369799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).