2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

C17H25N3O2 — CID 126445697

IUPAC2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
SMILESO=C(C[C@H]1CCOC1)N1CCCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H25N3O2/c21-17(12-15-5-11-22-14-15)20-8-3-7-19(9-10-20)13-16-4-1-2-6-18-16/h1-2,4,6,15H,3,5,7-14H2/t15-/m1/s1
InChIKeyXTKZRSJMGVHXNG-OAHLLOKOSA-N
MW303.41 g/mol
LogP1.54
Rot. Bonds4

About 2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone (PubChem CID 126445697) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
PubChem CID126445697
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
SMILESO=C(C[C@H]1CCOC1)N1CCCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H25N3O2/c21-17(12-15-5-11-22-14-15)20-8-3-7-19(9-10-20)13-16-4-1-2-6-18-16/h1-2,4,6,15H,3,5,7-14H2/t15-/m1/s1
InChIKeyXTKZRSJMGVHXNG-OAHLLOKOSA-N
XLogP1.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-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

5-[3-oxo-3-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione
CID 70776688
oxolan-3-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 134077446
[(2S)-2-methyloxolan-2-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 126435893
2-amino-2-(oxan-4-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 120801574
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
(5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 97450038
2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 60938982
1-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1,4-diazepan-1-yl]-2-(oxan-3-yl)ethanone
CID 138806176
[2-oxo-2-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate
CID 3808346
[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 118771316
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 119064859
2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 110085786

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone (CID 126445697) is 2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone is O=C(C[C@H]1CCOC1)N1CCCN(Cc2ccccn2)CC1.
What is the InChIKey of 2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is XTKZRSJMGVHXNG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(12-15-5-11-22-14-15)20-8-3-7-19(9-10-20)13-16-4-1-2-6-18-16/h1-2,4,6,15H,3,5,7-14H2/t15-/m1/s1.
What are the key properties of 2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone?
2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 303.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 126445697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).