N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide

C19H25N5O4 — CID 8541570

IUPACN-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1
InChIInChI=1S/C19H25N5O4/c1-22-18(26)15-6-4-3-5-14(15)17(21-22)19(27)24-10-8-23(9-11-24)13-16(25)20-7-12-28-2/h3-6H,7-13H2,1-2H3,(H,20,25)
InChIKeyAKTCRJQYDUCNKI-UHFFFAOYSA-N
MW387.44 g/mol
LogP-0.55
Rot. Bonds6

About N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide

N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide (PubChem CID 8541570) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide
PubChem CID8541570
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC NameN-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1
InChIInChI=1S/C19H25N5O4/c1-22-18(26)15-6-4-3-5-14(15)17(21-22)19(27)24-10-8-23(9-11-24)13-16(25)20-7-12-28-2/h3-6H,7-13H2,1-2H3,(H,20,25)
InChIKeyAKTCRJQYDUCNKI-UHFFFAOYSA-N
XLogP-0.55
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-[4-(4-oxo-3-phenylphthalazine-1-carbonyl)piperazin-1-yl]acetamide
CID 55427113
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 18110420
4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 9148252
N-(2-methoxyethyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8541485
N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 8541477
N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462485
N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide
CID 78889005
N-(3-methoxypropyl)-2-[4-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]acetamide
CID 55428887
N-(2-methoxyethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 31001505
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 9254342
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836348

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide (CID 8541570) is N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide is COCCNC(=O)CN1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is AKTCRJQYDUCNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-22-18(26)15-6-4-3-5-14(15)17(21-22)19(27)24-10-8-23(9-11-24)13-16(25)20-7-12-28-2/h3-6H,7-13H2,1-2H3,(H,20,25).
What are the key properties of N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 387.44 g/mol, XLogP of -0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8541570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).