4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one

C18H25N5O2 — CID 9148252

IUPAC4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one
SMILESCN(C)CCN1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1
InChIInChI=1S/C18H25N5O2/c1-20(2)8-9-22-10-12-23(13-11-22)18(25)16-14-6-4-5-7-15(14)17(24)21(3)19-16/h4-7H,8-13H2,1-3H3
InChIKeyMYHOLIAYTXRKBV-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.25
Rot. Bonds4

About 4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one

4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one (PubChem CID 9148252) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one
PubChem CID9148252
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one
SMILESCN(C)CCN1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1
InChIInChI=1S/C18H25N5O2/c1-20(2)8-9-22-10-12-23(13-11-22)18(25)16-14-6-4-5-7-15(14)17(24)21(3)19-16/h4-7H,8-13H2,1-3H3
InChIKeyMYHOLIAYTXRKBV-UHFFFAOYSA-N
XLogP0.25
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 9254342
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2683196
N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide
CID 8541570
4-[4-(3,3-dimethylbutyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 55905546
4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2710661
2-methyl-4-[4-(5-methyl-3-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 171630479
4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 171630603
4-[4-[3-(difluoromethoxy)-5-fluorophenyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 171630598
4-[4-[3-fluoro-5-(trifluoromethoxy)phenyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 171631032
4-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 4828065
4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 56544691
2-methyl-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one
CID 9109567

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one?
The IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one (CID 9148252) is 4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one is CN(C)CCN1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one?
The InChIKey is MYHOLIAYTXRKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-20(2)8-9-22-10-12-23(13-11-22)18(25)16-14-6-4-5-7-15(14)17(24)21(3)19-16/h4-7H,8-13H2,1-3H3.
What are the key properties of 4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one?
4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one has a molecular weight of 343.43 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one is sourced from PubChem (CID 9148252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).