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

C12H21NO2 — CID 64592467

IUPACazepan-1-yl(oxan-2-yl)methanone
SMILESO=C(C1CCCCO1)N1CCCCCC1
InChIInChI=1S/C12H21NO2/c14-12(11-7-3-6-10-15-11)13-8-4-1-2-5-9-13/h11H,1-10H2
InChIKeyQZULVPVHXVASBO-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.96
Rot. Bonds1

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

azepan-1-yl(oxan-2-yl)methanone (PubChem CID 64592467) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is azepan-1-yl(oxan-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl(oxan-2-yl)methanone
PubChem CID64592467
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameazepan-1-yl(oxan-2-yl)methanone
SMILESO=C(C1CCCCO1)N1CCCCCC1
InChIInChI=1S/C12H21NO2/c14-12(11-7-3-6-10-15-11)13-8-4-1-2-5-9-13/h11H,1-10H2
InChIKeyQZULVPVHXVASBO-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 79403349
(3,4-dihydroxypyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 106671015
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 71944684
[4-(1-bromoethyl)piperidin-1-yl]-(oxan-2-yl)methanone
CID 106839160
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
[4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone
CID 113282965

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(oxan-2-yl)methanone?
The IUPAC name of azepan-1-yl(oxan-2-yl)methanone (CID 64592467) is azepan-1-yl(oxan-2-yl)methanone.
What is the SMILES notation for azepan-1-yl(oxan-2-yl)methanone?
The canonical SMILES for azepan-1-yl(oxan-2-yl)methanone is O=C(C1CCCCO1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl(oxan-2-yl)methanone?
The InChIKey is QZULVPVHXVASBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(11-7-3-6-10-15-11)13-8-4-1-2-5-9-13/h11H,1-10H2.
What are the key properties of azepan-1-yl(oxan-2-yl)methanone?
azepan-1-yl(oxan-2-yl)methanone has a molecular weight of 211.30 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(oxan-2-yl)methanone is sourced from PubChem (CID 64592467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).