azepan-1-yl(azepan-2-yl)methanone

C13H24N2O — CID 64562203

IUPACazepan-1-yl(azepan-2-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCCCCC1
InChIInChI=1S/C13H24N2O/c16-13(12-8-4-3-5-9-14-12)15-10-6-1-2-7-11-15/h12,14H,1-11H2
InChIKeyDWHBSZHJLYDLAW-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.92
Rot. Bonds1

About azepan-1-yl(azepan-2-yl)methanone

azepan-1-yl(azepan-2-yl)methanone (PubChem CID 64562203) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is azepan-1-yl(azepan-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl(azepan-2-yl)methanone
PubChem CID64562203
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameazepan-1-yl(azepan-2-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCCCCC1
InChIInChI=1S/C13H24N2O/c16-13(12-8-4-3-5-9-14-12)15-10-6-1-2-7-11-15/h12,14H,1-11H2
InChIKeyDWHBSZHJLYDLAW-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 64563256
azepan-2-yl(thiomorpholin-4-yl)methanone
CID 64563385
azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone
CID 64570539
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
1-(azocane-2-carbonyl)azetidine-3-carboxylic acid
CID 114240179
[(2R)-piperidin-2-yl]-thiomorpholin-4-ylmethanone
CID 28787415
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
1-(azepane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 64568956

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(azepan-2-yl)methanone?
The IUPAC name of azepan-1-yl(azepan-2-yl)methanone (CID 64562203) is azepan-1-yl(azepan-2-yl)methanone.
What is the SMILES notation for azepan-1-yl(azepan-2-yl)methanone?
The canonical SMILES for azepan-1-yl(azepan-2-yl)methanone is O=C(C1CCCCCN1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl(azepan-2-yl)methanone?
The InChIKey is DWHBSZHJLYDLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13(12-8-4-3-5-9-14-12)15-10-6-1-2-7-11-15/h12,14H,1-11H2.
What are the key properties of azepan-1-yl(azepan-2-yl)methanone?
azepan-1-yl(azepan-2-yl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(azepan-2-yl)methanone is sourced from PubChem (CID 64562203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).