azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone

C14H26N2O2 — CID 106586477

IUPACazepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-12-13-7-6-10-16(11-13)14(17)15-8-4-2-3-5-9-15/h13H,2-12H2,1H3
InChIKeyZGLUJOXGLLXNDL-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.34
Rot. Bonds2

About azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone

azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 106586477) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID106586477
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameazepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-12-13-7-6-10-16(11-13)14(17)15-8-4-2-3-5-9-15/h13H,2-12H2,1H3
InChIKeyZGLUJOXGLLXNDL-UHFFFAOYSA-N
XLogP2.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methoxymethyl)azepane-1-carboxamide
CID 130671584
(2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 106588061
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 143842263
2-amino-2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 106586761
(3-aminocyclopentyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103810664
3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 106588062
2-[4-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-diazepan-1-yl]acetic acid
CID 64597622
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
(E)-4-[(3S)-3-(methoxymethyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 129414306
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322528
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 106586477) is azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)N2CCCCCC2)C1.
What is the InChIKey of azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is ZGLUJOXGLLXNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-12-13-7-6-10-16(11-13)14(17)15-8-4-2-3-5-9-15/h13H,2-12H2,1H3.
What are the key properties of azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone?
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 254.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106586477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).