1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone

C14H26N2O2 — CID 107385595

IUPAC1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone
SMILESCC1(OCC(=O)N2CCCCCC2)CCCNC1
InChIInChI=1S/C14H26N2O2/c1-14(7-6-8-15-12-14)18-11-13(17)16-9-4-2-3-5-10-16/h15H,2-12H2,1H3
InChIKeyMZEVSKOQKFITPU-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.55
Rot. Bonds3

About 1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone

1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone (PubChem CID 107385595) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone
PubChem CID107385595
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone
SMILESCC1(OCC(=O)N2CCCCCC2)CCCNC1
InChIInChI=1S/C14H26N2O2/c1-14(7-6-8-15-12-14)18-11-13(17)16-9-4-2-3-5-10-16/h15H,2-12H2,1H3
InChIKeyMZEVSKOQKFITPU-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-methyl-2-(3-methylpiperidin-3-yl)oxyacetamide
CID 107385622
2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 102611887
4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid
CID 102656168
3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid
CID 102656171
2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone
CID 65051205
3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119719489
1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid
CID 102656172
8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 102655908
1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
CID 102611691
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315
2-[1-(aminomethyl)cyclopentyl]oxy-1-pyrrolidin-1-ylethanone
CID 65051305
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
CID 102849595

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone (CID 107385595) is 1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone is CC1(OCC(=O)N2CCCCCC2)CCCNC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone?
The InChIKey is MZEVSKOQKFITPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(7-6-8-15-12-14)18-11-13(17)16-9-4-2-3-5-10-16/h15H,2-12H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone?
1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone has a molecular weight of 254.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone is sourced from PubChem (CID 107385595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).