[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone

C18H23N5O — CID 42690942

IUPAC[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCN1CCN(c2nnc(C(=O)N3CCCC3)c3ccccc23)CC1
InChIInChI=1S/C18H23N5O/c1-21-10-12-22(13-11-21)17-15-7-3-2-6-14(15)16(19-20-17)18(24)23-8-4-5-9-23/h2-3,6-7H,4-5,8-13H2,1H3
InChIKeyLHSVVAQTTSDGRR-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.62
Rot. Bonds2

About [4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone

[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42690942) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID42690942
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCN1CCN(c2nnc(C(=O)N3CCCC3)c3ccccc23)CC1
InChIInChI=1S/C18H23N5O/c1-21-10-12-22(13-11-21)17-15-7-3-2-6-14(15)16(19-20-17)18(24)23-8-4-5-9-23/h2-3,6-7H,4-5,8-13H2,1H3
InChIKeyLHSVVAQTTSDGRR-UHFFFAOYSA-N
XLogP1.62
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42878282
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 42691138
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42691115
methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate
CID 6418780
morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone
CID 42690972
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42691070
(4-methylpiperazin-1-yl)-(1-pyrrolidin-1-ylisoquinolin-4-yl)methanone
CID 46360427
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone
CID 42691066
[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42878392
[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 42878357
[4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone
CID 42690803
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone (CID 42690942) is [4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone is CN1CCN(c2nnc(C(=O)N3CCCC3)c3ccccc23)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LHSVVAQTTSDGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-21-10-12-22(13-11-21)17-15-7-3-2-6-14(15)16(19-20-17)18(24)23-8-4-5-9-23/h2-3,6-7H,4-5,8-13H2,1H3.
What are the key properties of [4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone?
[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 325.42 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42690942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).