5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one

C23H28N4O4 — CID 91950231

IUPAC5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
SMILESCOCCCn1cnc2oc(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)c2c1=O
InChIInChI=1S/C23H28N4O4/c1-17-19(20-21(31-17)24-16-27(23(20)29)9-6-14-30-2)22(28)26-12-10-25(11-13-26)15-18-7-4-3-5-8-18/h3-5,7-8,16H,6,9-15H2,1-2H3
InChIKeyRVKSFMVSLXYOHL-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.29
Rot. Bonds7

About 5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one

5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one (PubChem CID 91950231) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
PubChem CID91950231
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
SMILESCOCCCn1cnc2oc(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)c2c1=O
InChIInChI=1S/C23H28N4O4/c1-17-19(20-21(31-17)24-16-27(23(20)29)9-6-14-30-2)22(28)26-12-10-25(11-13-26)15-18-7-4-3-5-8-18/h3-5,7-8,16H,6,9-15H2,1-2H3
InChIKeyRVKSFMVSLXYOHL-UHFFFAOYSA-N
XLogP2.29
TPSA80.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-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

5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
CID 91950213
3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950324
3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 39103403
3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950060
3,6-dimethyl-5-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one
CID 91949898
ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 91950055
N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950232
6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid
CID 45406557
3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide
CID 91950234
N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 100815085
6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950187
5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one
CID 91950167

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one (CID 91950231) is 5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one is COCCCn1cnc2oc(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)c2c1=O.
What is the InChIKey of 5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one?
The InChIKey is RVKSFMVSLXYOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-17-19(20-21(31-17)24-16-27(23(20)29)9-6-14-30-2)22(28)26-12-10-25(11-13-26)15-18-7-4-3-5-8-18/h3-5,7-8,16H,6,9-15H2,1-2H3.
What are the key properties of 5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one?
5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one has a molecular weight of 424.50 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 91950231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).