4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one

C26H27N3O4 — CID 4573712

IUPAC4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(Cc1ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o1)C(=O)CO2
InChIInChI=1S/C26H27N3O4/c1-19-7-9-23-22(15-19)29(25(30)18-32-23)17-21-8-10-24(33-21)26(31)28-13-11-27(12-14-28)16-20-5-3-2-4-6-20/h2-10,15H,11-14,16-18H2,1H3
InChIKeyTXQHEYFBXVLZDM-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.47
Rot. Bonds5

About 4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one

4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one (PubChem CID 4573712) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one
PubChem CID4573712
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(Cc1ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o1)C(=O)CO2
InChIInChI=1S/C26H27N3O4/c1-19-7-9-23-22(15-19)29(25(30)18-32-23)17-21-8-10-24(33-21)26(31)28-13-11-27(12-14-28)16-20-5-3-2-4-6-20/h2-10,15H,11-14,16-18H2,1H3
InChIKeyTXQHEYFBXVLZDM-UHFFFAOYSA-N
XLogP3.47
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-acetyl-4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 3956137
4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one
CID 4308263
7-methyl-4-[[5-(pyrrolidine-1-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 4557344
4-[[3-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one
CID 4002457
4-[[5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]-7-methyl-1,4-benzoxazin-3-one
CID 4672436
4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]-7-methyl-1,4-benzoxazin-3-one
CID 4018200
6-tert-butyl-4-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 4571899
N-(1-benzylpiperidin-4-yl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 42788025
6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 4056070
N,N-diethyl-5-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 42786202
4-[[4-(4-benzylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one
CID 3373754
7-methyl-4-[[4-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one
CID 3552821

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one (CID 4573712) is 4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one is Cc1ccc2c(c1)N(Cc1ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o1)C(=O)CO2.
What is the InChIKey of 4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one?
The InChIKey is TXQHEYFBXVLZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-19-7-9-23-22(15-19)29(25(30)18-32-23)17-21-8-10-24(33-21)26(31)28-13-11-27(12-14-28)16-20-5-3-2-4-6-20/h2-10,15H,11-14,16-18H2,1H3.
What are the key properties of 4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one?
4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one has a molecular weight of 445.52 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 4573712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).