4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one

C22H27N5O4 — CID 4997518

IUPAC4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
SMILESCOCCOCn1ccnc1C1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1
InChIInChI=1S/C22H27N5O4/c1-30-12-13-31-15-27-11-8-23-21(27)16-6-9-26(10-7-16)20(28)14-19-17-4-2-3-5-18(17)22(29)25-24-19/h2-5,8,11,16H,6-7,9-10,12-15H2,1H3,(H,25,29)
InChIKeyNNZVFVNQBIXWET-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.69
Rot. Bonds8

About 4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one

4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one (PubChem CID 4997518) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
PubChem CID4997518
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
SMILESCOCCOCn1ccnc1C1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1
InChIInChI=1S/C22H27N5O4/c1-30-12-13-31-15-27-11-8-23-21(27)16-6-9-26(10-7-16)20(28)14-19-17-4-2-3-5-18(17)22(29)25-24-19/h2-5,8,11,16H,6-7,9-10,12-15H2,1H3,(H,25,29)
InChIKeyNNZVFVNQBIXWET-UHFFFAOYSA-N
XLogP1.69
TPSA102.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one 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-[2-oxo-2-[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]ethyl]-2H-phthalazin-1-one
CID 3858869
4-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 166196668
1-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-phenylethenylsulfonyl)ethanone
CID 3712587
3-[3-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 3864611
ethyl 4-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazine-1-carboxylate
CID 2678381
(3,6-dichloro-2-pyridinyl)-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 3856154
4-[2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 146125893
3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide
CID 171676603
4-[2-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 3684508
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166188485
4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 51473384
2-(3-fluoro-4-hydroxyphenyl)-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 70715056

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one (CID 4997518) is 4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one is COCCOCn1ccnc1C1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1.
What is the InChIKey of 4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one?
The InChIKey is NNZVFVNQBIXWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-30-12-13-31-15-27-11-8-23-21(27)16-6-9-26(10-7-16)20(28)14-19-17-4-2-3-5-18(17)22(29)25-24-19/h2-5,8,11,16H,6-7,9-10,12-15H2,1H3,(H,25,29).
What are the key properties of 4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one?
4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one has a molecular weight of 425.49 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one is sourced from PubChem (CID 4997518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).