1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone

C16H25N3O3 — CID 97485196

IUPAC1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
SMILESCC(=O)N1Cc2cncn2C[C@@H](COCC2CCOCC2)C1
InChIInChI=1S/C16H25N3O3/c1-13(20)18-7-15(8-19-12-17-6-16(19)9-18)11-22-10-14-2-4-21-5-3-14/h6,12,14-15H,2-5,7-11H2,1H3/t15-/m0/s1
InChIKeyNDTDWVYFIJKLME-HNNXBMFYSA-N
MW307.39 g/mol
LogP1.30
Rot. Bonds4

About 1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone

1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone (PubChem CID 97485196) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone.

Molecular Properties

Compound Name1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
PubChem CID97485196
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
SMILESCC(=O)N1Cc2cncn2C[C@@H](COCC2CCOCC2)C1
InChIInChI=1S/C16H25N3O3/c1-13(20)18-7-15(8-19-12-17-6-16(19)9-18)11-22-10-14-2-4-21-5-3-14/h6,12,14-15H,2-5,7-11H2,1H3/t15-/m0/s1
InChIKeyNDTDWVYFIJKLME-HNNXBMFYSA-N
XLogP1.30
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone 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

Oxan-4-yl-[3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97467022
Oxan-4-yl-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97467045
2-Cyclopropyl-1-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone
CID 97467064
[3-(Morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(oxan-4-yl)methanone
CID 97467067
6-(oxan-4-ylmethoxymethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155826614
6-(Ethoxymethyl)-8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155850426
1-[3-[(Dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-3-methoxypropan-1-one
CID 97466965
2-[(8-Acetyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl)methoxy]-1-pyrrolidin-1-ylethanone
CID 131644419
1-[6-(Cyclobutylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]propan-1-one
CID 131658467
1-[6-(Cyclobutylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-methylsulfonylethanone
CID 133141687
6-(cyclobutylmethoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-sulfonamide
CID 134690199
1-[3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 172244896

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone?
The IUPAC name of 1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone (CID 97485196) is 1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone.
What is the SMILES notation for 1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone?
The canonical SMILES for 1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone is CC(=O)N1Cc2cncn2C[C@@H](COCC2CCOCC2)C1.
What is the InChIKey of 1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone?
The InChIKey is NDTDWVYFIJKLME-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-13(20)18-7-15(8-19-12-17-6-16(19)9-18)11-22-10-14-2-4-21-5-3-14/h6,12,14-15H,2-5,7-11H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone?
1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone has a molecular weight of 307.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-(oxan-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone is sourced from PubChem (CID 97485196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).