azepan-1-yl-(2-methylpiperidin-4-yl)methanone

C13H24N2O — CID 106738508

IUPACazepan-1-yl-(2-methylpiperidin-4-yl)methanone
SMILESCC1CC(C(=O)N2CCCCCC2)CCN1
InChIInChI=1S/C13H24N2O/c1-11-10-12(6-7-14-11)13(16)15-8-4-2-3-5-9-15/h11-12,14H,2-10H2,1H3
InChIKeyYTVLMHOVQUNWKN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds1

About azepan-1-yl-(2-methylpiperidin-4-yl)methanone

azepan-1-yl-(2-methylpiperidin-4-yl)methanone (PubChem CID 106738508) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is azepan-1-yl-(2-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2-methylpiperidin-4-yl)methanone
PubChem CID106738508
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameazepan-1-yl-(2-methylpiperidin-4-yl)methanone
SMILESCC1CC(C(=O)N2CCCCCC2)CCN1
InChIInChI=1S/C13H24N2O/c1-11-10-12(6-7-14-11)13(16)15-8-4-2-3-5-9-15/h11-12,14H,2-10H2,1H3
InChIKeyYTVLMHOVQUNWKN-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze azepan-1-yl-(2-methylpiperidin-4-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

[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 120620099
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;hydrochloride
CID 120637153
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea
CID 120625762
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2-methylpiperidin-4-yl)methanone
CID 106740019
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 120617558
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
1-(2-methylpiperidine-4-carbonyl)-1,4-diazepan-5-one
CID 106740000
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
CID 120636089
[(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 120636725
2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 120631513
[(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 120622918

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2-methylpiperidin-4-yl)methanone?
The IUPAC name of azepan-1-yl-(2-methylpiperidin-4-yl)methanone (CID 106738508) is azepan-1-yl-(2-methylpiperidin-4-yl)methanone.
What is the SMILES notation for azepan-1-yl-(2-methylpiperidin-4-yl)methanone?
The canonical SMILES for azepan-1-yl-(2-methylpiperidin-4-yl)methanone is CC1CC(C(=O)N2CCCCCC2)CCN1.
What is the InChIKey of azepan-1-yl-(2-methylpiperidin-4-yl)methanone?
The InChIKey is YTVLMHOVQUNWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11-10-12(6-7-14-11)13(16)15-8-4-2-3-5-9-15/h11-12,14H,2-10H2,1H3.
What are the key properties of azepan-1-yl-(2-methylpiperidin-4-yl)methanone?
azepan-1-yl-(2-methylpiperidin-4-yl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 106738508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).