1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one

C13H24N2O2 — CID 129178043

IUPAC1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(N2CCCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-13(16)15-7-4-12(5-8-15)14-6-3-10-17-11-9-14/h12H,2-11H2,1H3
InChIKeyCRPIEDPGIVJSKO-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds2

About 1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one

1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 129178043) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one
PubChem CID129178043
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(N2CCCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-13(16)15-7-4-12(5-8-15)14-6-3-10-17-11-9-14/h12H,2-11H2,1H3
InChIKeyCRPIEDPGIVJSKO-UHFFFAOYSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one (CID 129178043) is 1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(N2CCCOCC2)CC1.
What is the InChIKey of 1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is CRPIEDPGIVJSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-13(16)15-7-4-12(5-8-15)14-6-3-10-17-11-9-14/h12H,2-11H2,1H3.
What are the key properties of 1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one?
1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129178043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).