[4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone

C22H31N5O2 — CID 42690803

IUPAC[4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2nnc(N3CCC(C)CC3)c3ccccc23)CC1
InChIInChI=1S/C22H31N5O2/c1-17-7-9-26(10-8-17)21-19-6-4-3-5-18(19)20(23-24-21)22(28)27-13-11-25(12-14-27)15-16-29-2/h3-6,17H,7-16H2,1-2H3
InChIKeyNNHJGBBAOGIURP-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.27
Rot. Bonds5

About [4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone

[4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone (PubChem CID 42690803) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone
PubChem CID42690803
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name[4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2nnc(N3CCC(C)CC3)c3ccccc23)CC1
InChIInChI=1S/C22H31N5O2/c1-17-7-9-26(10-8-17)21-19-6-4-3-5-18(19)20(23-24-21)22(28)27-13-11-25(12-14-27)15-16-29-2/h3-6,17H,7-16H2,1-2H3
InChIKeyNNHJGBBAOGIURP-UHFFFAOYSA-N
XLogP2.27
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42690942
[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 42878357
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 42691138
[4-(2-methoxyethyl)piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 16674237
morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone
CID 42690972
[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]-(4-phenylpiperazin-1-yl)methanone
CID 42691070
[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone
CID 163257255
[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 86950986
methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate
CID 6418780
[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42878282
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone?
The IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone (CID 42690803) is [4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone.
What is the SMILES notation for [4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone?
The canonical SMILES for [4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone is COCCN1CCN(C(=O)c2nnc(N3CCC(C)CC3)c3ccccc23)CC1.
What is the InChIKey of [4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone?
The InChIKey is NNHJGBBAOGIURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-17-7-9-26(10-8-17)21-19-6-4-3-5-18(19)20(23-24-21)22(28)27-13-11-25(12-14-27)15-16-29-2/h3-6,17H,7-16H2,1-2H3.
What are the key properties of [4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone?
[4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone has a molecular weight of 397.52 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone is sourced from PubChem (CID 42690803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).