1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione

C15H18N2O3 — CID 79909619

IUPAC1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESO=C1NCC(=O)N(CC2CCOCC2)c2ccccc21
InChIInChI=1S/C15H18N2O3/c18-14-9-16-15(19)12-3-1-2-4-13(12)17(14)10-11-5-7-20-8-6-11/h1-4,11H,5-10H2,(H,16,19)
InChIKeyHNVRXOKXSONWQU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.19
Rot. Bonds2

About 1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione

1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 79909619) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID79909619
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESO=C1NCC(=O)N(CC2CCOCC2)c2ccccc21
InChIInChI=1S/C15H18N2O3/c18-14-9-16-15(19)12-3-1-2-4-13(12)17(14)10-11-5-7-20-8-6-11/h1-4,11H,5-10H2,(H,16,19)
InChIKeyHNVRXOKXSONWQU-UHFFFAOYSA-N
XLogP1.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione 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

1-(oxolan-3-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909620
1-(cyclohexylmethyl)-3,4-dihydroquinoxalin-2-one
CID 62874787
3-ethyl-1-(oxolan-3-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910648
1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909849
1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910104
1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 83169240
2,5-dioxo-3,4-dihydro-1,4-benzodiazepine-1-carbonitrile
CID 170859701
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3345025
1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 4573481
3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione
CID 71867375
1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione
CID 79907372
3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione
CID 66074717

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 79909619) is 1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione is O=C1NCC(=O)N(CC2CCOCC2)c2ccccc21.
What is the InChIKey of 1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is HNVRXOKXSONWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14-9-16-15(19)12-3-1-2-4-13(12)17(14)10-11-5-7-20-8-6-11/h1-4,11H,5-10H2,(H,16,19).
What are the key properties of 1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 274.32 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 79909619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).