azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

C15H28N2O2 — CID 102743359

IUPACazepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)N2CCCCCC2)CC(C)(C)O1
InChIInChI=1S/C15H28N2O2/c1-14(2)11-17(12-15(3,4)19-14)13(18)16-9-7-5-6-8-10-16/h5-12H2,1-4H3
InChIKeyKSYKHSSBKCRVBA-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.87
Rot. Bonds

About azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (PubChem CID 102743359) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
PubChem CID102743359
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameazepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)N2CCCCCC2)CC(C)(C)O1
InChIInChI=1S/C15H28N2O2/c1-14(2)11-17(12-15(3,4)19-14)13(18)16-9-7-5-6-8-10-16/h5-12H2,1-4H3
InChIKeyKSYKHSSBKCRVBA-UHFFFAOYSA-N
XLogP2.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 102744940
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 102744970
(3-amino-3-methylazetidin-1-yl)-piperidin-1-ylmethanone
CID 79155212
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)piperidine-2-carboxylic acid
CID 102744917
(3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 103727843
(3-ethyl-3-hydroxyazetidin-1-yl)-piperidin-1-ylmethanone
CID 79156175
azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 79152113
(3-amino-3-propan-2-ylazetidin-1-yl)-piperidin-1-ylmethanone
CID 79155389
4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 102744923
azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 117068106
2,2,6,6-tetramethylmorpholine-4-carbohydrazide
CID 102745077
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The IUPAC name of azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (CID 102743359) is azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.
What is the SMILES notation for azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The canonical SMILES for azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)N2CCCCCC2)CC(C)(C)O1.
What is the InChIKey of azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The InChIKey is KSYKHSSBKCRVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2)11-17(12-15(3,4)19-14)13(18)16-9-7-5-6-8-10-16/h5-12H2,1-4H3.
What are the key properties of azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is sourced from PubChem (CID 102743359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).