4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one

C20H20N4O2 — CID 37332382

IUPAC4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one
SMILESCN1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H20N4O2/c1-23-11-12-24(17(13-23)14-7-3-2-4-8-14)20(26)18-15-9-5-6-10-16(15)19(25)22-21-18/h2-10,17H,11-13H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyWHCLGQNPELMJCK-QGZVFWFLSA-N
MW348.41 g/mol
LogP2.05
Rot. Bonds2

About 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one

4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one (PubChem CID 37332382) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one
PubChem CID37332382
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one
SMILESCN1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H20N4O2/c1-23-11-12-24(17(13-23)14-7-3-2-4-8-14)20(26)18-15-9-5-6-10-16(15)19(25)22-21-18/h2-10,17H,11-13H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyWHCLGQNPELMJCK-QGZVFWFLSA-N
XLogP2.05
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 39154920
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(5-methyl-1,3-oxazol-4-yl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 129381205
6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 95976202
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
4-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 167744195
4-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-2H-phthalazin-1-one
CID 119060005
4-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-2H-phthalazin-1-one
CID 16674823
4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one
CID 43420923
(4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 72920798
4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]-2H-phthalazin-1-one
CID 99953113

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one (CID 37332382) is 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one is CN1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)[C@@H](c2ccccc2)C1.
What is the InChIKey of 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one?
The InChIKey is WHCLGQNPELMJCK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-11-12-24(17(13-23)14-7-3-2-4-8-14)20(26)18-15-9-5-6-10-16(15)19(25)22-21-18/h2-10,17H,11-13H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one?
4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one has a molecular weight of 348.41 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one is sourced from PubChem (CID 37332382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).