1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one

C14H24N2O2 — CID 43087632

IUPAC1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one
SMILESCC(C(=O)N1CCCCCC1)N1CCC(=O)CC1
InChIInChI=1S/C14H24N2O2/c1-12(15-10-6-13(17)7-11-15)14(18)16-8-4-2-3-5-9-16/h12H,2-11H2,1H3
InChIKeyOKAKZPAIWQFUOL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.44
Rot. Bonds2

About 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one

1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one (PubChem CID 43087632) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one
PubChem CID43087632
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one
SMILESCC(C(=O)N1CCCCCC1)N1CCC(=O)CC1
InChIInChI=1S/C14H24N2O2/c1-12(15-10-6-13(17)7-11-15)14(18)16-8-4-2-3-5-9-16/h12H,2-11H2,1H3
InChIKeyOKAKZPAIWQFUOL-UHFFFAOYSA-N
XLogP1.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one?
The IUPAC name of 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one (CID 43087632) is 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one?
The canonical SMILES for 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one is CC(C(=O)N1CCCCCC1)N1CCC(=O)CC1.
What is the InChIKey of 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one?
The InChIKey is OKAKZPAIWQFUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(15-10-6-13(17)7-11-15)14(18)16-8-4-2-3-5-9-16/h12H,2-11H2,1H3.
What are the key properties of 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one?
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one has a molecular weight of 252.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-4-one is sourced from PubChem (CID 43087632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).