N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide

C25H23N5O — CID 2951839

IUPACN-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C25H23N5O/c31-25(26-20-11-5-2-6-12-20)30-17-15-29(16-18-30)24-22-14-8-7-13-21(22)23(27-28-24)19-9-3-1-4-10-19/h1-14H,15-18H2,(H,26,31)
InChIKeyVBFOWBUNUZEIRT-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.65
Rot. Bonds3

About N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide

N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide (PubChem CID 2951839) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
PubChem CID2951839
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC NameN-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C25H23N5O/c31-25(26-20-11-5-2-6-12-20)30-17-15-29(16-18-30)24-22-14-8-7-13-21(22)23(27-28-24)19-9-3-1-4-10-19/h1-14H,15-18H2,(H,26,31)
InChIKeyVBFOWBUNUZEIRT-UHFFFAOYSA-N
XLogP4.65
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 123439855
(2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
CID 6407348
1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-2-piperidin-1-ylethanone
CID 2952093
N-(4-chlorophenyl)-2-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 67343692
(2S)-N-(4-fluorophenyl)-2-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide;hydrochloride
CID 67344704
2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39950031
2-[2-oxo-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 664563
(3S)-N-(4-fluorophenyl)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-3-methylpiperazine-1-carboxamide;hydrochloride
CID 46198404
1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride
CID 45261463
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
(3S)-N-(3-chloro-4-fluorophenyl)-3-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide;hydrochloride
CID 67345327
N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide
CID 127036821

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide (CID 2951839) is N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide?
The InChIKey is VBFOWBUNUZEIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c31-25(26-20-11-5-2-6-12-20)30-17-15-29(16-18-30)24-22-14-8-7-13-21(22)23(27-28-24)19-9-3-1-4-10-19/h1-14H,15-18H2,(H,26,31).
What are the key properties of N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide?
N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide is sourced from PubChem (CID 2951839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).