6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one

C23H27N3O2 — CID 126803765

IUPAC6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C1CCCC(CC(=O)N2CCCN(Cc3ccccc3)c3ccccc32)N1
InChIInChI=1S/C23H27N3O2/c27-22-13-6-10-19(24-22)16-23(28)26-15-7-14-25(17-18-8-2-1-3-9-18)20-11-4-5-12-21(20)26/h1-5,8-9,11-12,19H,6-7,10,13-17H2,(H,24,27)
InChIKeyJUDDTKQFSGJLHJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.49
Rot. Bonds4

About 6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one

6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 126803765) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one
PubChem CID126803765
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C1CCCC(CC(=O)N2CCCN(Cc3ccccc3)c3ccccc32)N1
InChIInChI=1S/C23H27N3O2/c27-22-13-6-10-19(24-22)16-23(28)26-15-7-14-25(17-18-8-2-1-3-9-18)20-11-4-5-12-21(20)26/h1-5,8-9,11-12,19H,6-7,10,13-17H2,(H,24,27)
InChIKeyJUDDTKQFSGJLHJ-UHFFFAOYSA-N
XLogP3.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one (CID 126803765) is 6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one is O=C1CCCC(CC(=O)N2CCCN(Cc3ccccc3)c3ccccc32)N1.
What is the InChIKey of 6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is JUDDTKQFSGJLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22-13-6-10-19(24-22)16-23(28)26-15-7-14-25(17-18-8-2-1-3-9-18)20-11-4-5-12-21(20)26/h1-5,8-9,11-12,19H,6-7,10,13-17H2,(H,24,27).
What are the key properties of 6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one?
6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 377.49 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 126803765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).