2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione

C14H24N2O3 — CID 79932308

IUPAC2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
SMILESCOCC(C)CN1CCC(=O)N2CCCCC2C1=O
InChIInChI=1S/C14H24N2O3/c1-11(10-19-2)9-15-8-6-13(17)16-7-4-3-5-12(16)14(15)18/h11-12H,3-10H2,1-2H3
InChIKeyMSUHVLATIGKAEN-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.88
Rot. Bonds4

About 2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione

2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione (PubChem CID 79932308) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione.

Molecular Properties

Compound Name2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
PubChem CID79932308
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
SMILESCOCC(C)CN1CCC(=O)N2CCCCC2C1=O
InChIInChI=1S/C14H24N2O3/c1-11(10-19-2)9-15-8-6-13(17)16-7-4-3-5-12(16)14(15)18/h11-12H,3-10H2,1-2H3
InChIKeyMSUHVLATIGKAEN-UHFFFAOYSA-N
XLogP0.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
The IUPAC name of 2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione (CID 79932308) is 2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione.
What is the SMILES notation for 2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
The canonical SMILES for 2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione is COCC(C)CN1CCC(=O)N2CCCCC2C1=O.
What is the InChIKey of 2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
The InChIKey is MSUHVLATIGKAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(10-19-2)9-15-8-6-13(17)16-7-4-3-5-12(16)14(15)18/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione has a molecular weight of 268.36 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-methylpropyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione is sourced from PubChem (CID 79932308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).