7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one

C12H20N2O2 — CID 70504504

IUPAC7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one
SMILESCC1CCCC(=O)N1C1CCCCC(=O)N1
InChIInChI=1S/C12H20N2O2/c1-9-5-4-8-12(16)14(9)10-6-2-3-7-11(15)13-10/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyZWSNYBPKAANRFZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.40
Rot. Bonds1

About 7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one

7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one (PubChem CID 70504504) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one.

Molecular Properties

Compound Name7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one
PubChem CID70504504
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one
SMILESCC1CCCC(=O)N1C1CCCCC(=O)N1
InChIInChI=1S/C12H20N2O2/c1-9-5-4-8-12(16)14(9)10-6-2-3-7-11(15)13-10/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyZWSNYBPKAANRFZ-UHFFFAOYSA-N
XLogP1.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-iodo-6-methylpiperidin-2-one
CID 135233240
trimethyl-(7-oxoazepan-2-yl)azanium
CID 88711435
2-methyl-1-pyrrolidin-2-yl-1,4-diazepane-5,7-dione
CID 112546600
(6R,8S,9aS)-8-methyl-6-[[(2S)-6-oxopiperidin-2-yl]methyl]-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 24882128
1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one
CID 159724380
6-methylpiperidin-2-one;propane
CID 142225224
methyl sulfate;trimethyl-(7-oxoazepan-2-yl)azanium
CID 88711434
3-methylazonane-2,9-dione
CID 175922762
(6R)-6-ethylsulfonylpiperidin-2-one
CID 99990598
1-piperidin-2-ylpiperidine-2,6-dione
CID 112546401
6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one
CID 58165448
6-methyl-1-(3-trimethoxysilylpropyl)piperidin-2-one
CID 141175664

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one?
The IUPAC name of 7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one (CID 70504504) is 7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one.
What is the SMILES notation for 7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one?
The canonical SMILES for 7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one is CC1CCCC(=O)N1C1CCCCC(=O)N1.
What is the InChIKey of 7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one?
The InChIKey is ZWSNYBPKAANRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-5-4-8-12(16)14(9)10-6-2-3-7-11(15)13-10/h9-10H,2-8H2,1H3,(H,13,15).
What are the key properties of 7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one?
7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-6-oxopiperidin-1-yl)azepan-2-one is sourced from PubChem (CID 70504504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).