2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one

C27H26N4O2 — CID 662083

IUPAC2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one
SMILESO=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H26N4O2/c32-25(30-19-17-29(18-20-30)22-11-5-2-6-12-22)15-16-31-27(33)24-14-8-7-13-23(24)26(28-31)21-9-3-1-4-10-21/h1-14H,15-20H2
InChIKeyRIGDAINVCIEPLR-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.80
Rot. Bonds5

About 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one

2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one (PubChem CID 662083) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one.

Molecular Properties

Compound Name2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one
PubChem CID662083
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one
SMILESO=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H26N4O2/c32-25(30-19-17-29(18-20-30)22-11-5-2-6-12-22)15-16-31-27(33)24-14-8-7-13-23(24)26(28-31)21-9-3-1-4-10-21/h1-14H,15-20H2
InChIKeyRIGDAINVCIEPLR-UHFFFAOYSA-N
XLogP3.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-arylphthalazin-1(2H)-3,4-Di-F
CID 56835134
1(2H)-Phthalazinone, 2,4-diphenyl-
CID 676336
4-({3-[(4-Phenylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133279
4-({4-Fluoro-3-[(4-phenylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133280
4-({3-[(4-Benzoylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133281
3-(2-(4-(naphthalen-1-yl)piperazin-1-yl)ethyl)benzo(d)(1,2,3)triazin-4(3H)-one
CID 24777378
4-[[3,4-difluoro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 145949176
2-[4-[2,3-difluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]benzonitrile
CID 145955534
4-[[3,4-difluoro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 145955549
4-[[3,4-difluoro-5-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 145960349
4-[[3,4-difluoro-5-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 145962718
4-[[3,4-difluoro-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 145972651

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one?
The IUPAC name of 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one (CID 662083) is 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one.
What is the SMILES notation for 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one?
The canonical SMILES for 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one is O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one?
The InChIKey is RIGDAINVCIEPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c32-25(30-19-17-29(18-20-30)22-11-5-2-6-12-22)15-16-31-27(33)24-14-8-7-13-23(24)26(28-31)21-9-3-1-4-10-21/h1-14H,15-20H2.
What are the key properties of 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one?
2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one has a molecular weight of 438.53 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-phenylphthalazin-1-one is sourced from PubChem (CID 662083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).