3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide

C13H17N3O2 — CID 65362431

IUPAC3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide
SMILESNC(=O)c1cccc(CN2CCCNCC2=O)c1
InChIInChI=1S/C13H17N3O2/c14-13(18)11-4-1-3-10(7-11)9-16-6-2-5-15-8-12(16)17/h1,3-4,7,15H,2,5-6,8-9H2,(H2,14,18)
InChIKeyHNTMQDUOVYXMTH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.11
Rot. Bonds3

About 3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide

3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide (PubChem CID 65362431) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide
PubChem CID65362431
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide
SMILESNC(=O)c1cccc(CN2CCCNCC2=O)c1
InChIInChI=1S/C13H17N3O2/c14-13(18)11-4-1-3-10(7-11)9-16-6-2-5-15-8-12(16)17/h1,3-4,7,15H,2,5-6,8-9H2,(H2,14,18)
InChIKeyHNTMQDUOVYXMTH-UHFFFAOYSA-N
XLogP0.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide
CID 65362067
3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide
CID 65362331
3-(1,4-diazepan-1-ylmethyl)benzamide;hydrochloride
CID 119906487
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-2-one
CID 65362122
3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide
CID 63101425
3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide
CID 115311326
1-[[4-(hydroxymethyl)phenyl]methyl]-1,4-diazepan-2-one
CID 113365948
1-[(3,4-difluorophenyl)methyl]-1,4-diazepan-2-one
CID 82930342
1-[(3,5-difluorophenyl)methyl]-1,4-diazepan-2-one
CID 105407900
1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 75455915
1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one
CID 65362005
1-[(3,5-dimethylphenyl)methyl]-1,4-diazepan-2-one
CID 65362060

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide?
The IUPAC name of 3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide (CID 65362431) is 3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide.
What is the SMILES notation for 3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide?
The canonical SMILES for 3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide is NC(=O)c1cccc(CN2CCCNCC2=O)c1.
What is the InChIKey of 3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide?
The InChIKey is HNTMQDUOVYXMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-13(18)11-4-1-3-10(7-11)9-16-6-2-5-15-8-12(16)17/h1,3-4,7,15H,2,5-6,8-9H2,(H2,14,18).
What are the key properties of 3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide?
3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide has a molecular weight of 247.30 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide is sourced from PubChem (CID 65362431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).