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

C12H22N2O — CID 110856335

IUPACazepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
SMILESCN1CCCC1C(=O)N1CCCCCC1
InChIInChI=1S/C12H22N2O/c1-13-8-6-7-11(13)12(15)14-9-4-2-3-5-10-14/h11H,2-10H2,1H3
InChIKeyFGTHJKNNMSIKCZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.48
Rot. Bonds1

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

azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone (PubChem CID 110856335) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
PubChem CID110856335
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameazepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
SMILESCN1CCCC1C(=O)N1CCCCCC1
InChIInChI=1S/C12H22N2O/c1-13-8-6-7-11(13)12(15)14-9-4-2-3-5-10-14/h11H,2-10H2,1H3
InChIKeyFGTHJKNNMSIKCZ-UHFFFAOYSA-N
XLogP1.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze azepan-1-yl-(1-methylpyrrolidin-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

1-(1-methylpyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 110837391
cyclobutyl-[4-(1-methylazepane-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 131912157
1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 110837392
(3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone
CID 145087679
4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 136515792
(4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 58394627
4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde
CID 110850171
(3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone
CID 131086250
[(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 131915676
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 110854043
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone?
The IUPAC name of azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone (CID 110856335) is azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone is CN1CCCC1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone?
The InChIKey is FGTHJKNNMSIKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-13-8-6-7-11(13)12(15)14-9-4-2-3-5-10-14/h11H,2-10H2,1H3.
What are the key properties of azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone?
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone has a molecular weight of 210.32 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 110856335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).