3-(2-piperidin-2-ylethoxy)azepan-2-one

C13H24N2O2 — CID 106937963

IUPAC3-(2-piperidin-2-ylethoxy)azepan-2-one
SMILESO=C1NCCCCC1OCCC1CCCCN1
InChIInChI=1S/C13H24N2O2/c16-13-12(6-2-4-9-15-13)17-10-7-11-5-1-3-8-14-11/h11-12,14H,1-10H2,(H,15,16)
InChIKeyKKYSMERFEHVCIW-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.20
Rot. Bonds4

About 3-(2-piperidin-2-ylethoxy)azepan-2-one

3-(2-piperidin-2-ylethoxy)azepan-2-one (PubChem CID 106937963) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(2-piperidin-2-ylethoxy)azepan-2-one.

Molecular Properties

Compound Name3-(2-piperidin-2-ylethoxy)azepan-2-one
PubChem CID106937963
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-(2-piperidin-2-ylethoxy)azepan-2-one
SMILESO=C1NCCCCC1OCCC1CCCCN1
InChIInChI=1S/C13H24N2O2/c16-13-12(6-2-4-9-15-13)17-10-7-11-5-1-3-8-14-11/h11-12,14H,1-10H2,(H,15,16)
InChIKeyKKYSMERFEHVCIW-UHFFFAOYSA-N
XLogP1.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyrrolidin-2-ylmethoxy)azepan-2-one
CID 106937806
3-(2-aminopropoxy)azepan-2-one
CID 164664183
2-[2-(2-methylcyclohexyl)oxyethyl]piperidine
CID 43149941
bicyclo[2.2.0]hexa-1(4),2,5-triene;2-(2-cyclohexyloxyethyl)piperidine
CID 23339513
3-[(4-aminophenyl)methoxy]azepan-2-one
CID 43197107
N-(2-oxopiperidin-3-yl)-3-piperidin-2-ylpropanamide
CID 62211506
4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586374
3-(2-amino-2-methylbutoxy)azepan-2-one
CID 106938324
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 10797616

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-2-ylethoxy)azepan-2-one?
The IUPAC name of 3-(2-piperidin-2-ylethoxy)azepan-2-one (CID 106937963) is 3-(2-piperidin-2-ylethoxy)azepan-2-one.
What is the SMILES notation for 3-(2-piperidin-2-ylethoxy)azepan-2-one?
The canonical SMILES for 3-(2-piperidin-2-ylethoxy)azepan-2-one is O=C1NCCCCC1OCCC1CCCCN1.
What is the InChIKey of 3-(2-piperidin-2-ylethoxy)azepan-2-one?
The InChIKey is KKYSMERFEHVCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-13-12(6-2-4-9-15-13)17-10-7-11-5-1-3-8-14-11/h11-12,14H,1-10H2,(H,15,16).
What are the key properties of 3-(2-piperidin-2-ylethoxy)azepan-2-one?
3-(2-piperidin-2-ylethoxy)azepan-2-one has a molecular weight of 240.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-2-ylethoxy)azepan-2-one is sourced from PubChem (CID 106937963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).