[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone

C23H32N6O — CID 42878357

IUPAC[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2nnc(N3CCN(C(C)C)CC3)c3ccccc23)CC1
InChIInChI=1S/C23H32N6O/c1-4-9-26-10-12-29(13-11-26)23(30)21-19-7-5-6-8-20(19)22(25-24-21)28-16-14-27(15-17-28)18(2)3/h4-8,18H,1,9-17H2,2-3H3
InChIKeyAIDGVOKTRVIATR-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.10
Rot. Bonds5

About [4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone

[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone (PubChem CID 42878357) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is [4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
PubChem CID42878357
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2nnc(N3CCN(C(C)C)CC3)c3ccccc23)CC1
InChIInChI=1S/C23H32N6O/c1-4-9-26-10-12-29(13-11-26)23(30)21-19-7-5-6-8-20(19)22(25-24-21)28-16-14-27(15-17-28)18(2)3/h4-8,18H,1,9-17H2,2-3H3
InChIKeyAIDGVOKTRVIATR-UHFFFAOYSA-N
XLogP2.10
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone
CID 42690972
[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42690942
[4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone
CID 42690803
N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide
CID 42878324
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42691070
[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42878282
[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42878392
N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103532
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 42691138
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 92987474
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42691115
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone
CID 42691066

Frequently Asked Questions

What is the IUPAC name of [4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone (CID 42878357) is [4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone is C=CCN1CCN(C(=O)c2nnc(N3CCN(C(C)C)CC3)c3ccccc23)CC1.
What is the InChIKey of [4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The InChIKey is AIDGVOKTRVIATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-4-9-26-10-12-29(13-11-26)23(30)21-19-7-5-6-8-20(19)22(25-24-21)28-16-14-27(15-17-28)18(2)3/h4-8,18H,1,9-17H2,2-3H3.
What are the key properties of [4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone has a molecular weight of 408.55 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone is sourced from PubChem (CID 42878357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).