2-(azepan-1-yl)-1-piperidin-1-ylethanone

C13H24N2O — CID 39903845

IUPAC2-(azepan-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(CN1CCCCCC1)N1CCCCC1
InChIInChI=1S/C13H24N2O/c16-13(15-10-6-3-7-11-15)12-14-8-4-1-2-5-9-14/h1-12H2
InChIKeyNIZHDFSYKCTNAN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.87
Rot. Bonds2

About 2-(azepan-1-yl)-1-piperidin-1-ylethanone

2-(azepan-1-yl)-1-piperidin-1-ylethanone (PubChem CID 39903845) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-piperidin-1-ylethanone
PubChem CID39903845
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(azepan-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(CN1CCCCCC1)N1CCCCC1
InChIInChI=1S/C13H24N2O/c16-13(15-10-6-3-7-11-15)12-14-8-4-1-2-5-9-14/h1-12H2
InChIKeyNIZHDFSYKCTNAN-UHFFFAOYSA-N
XLogP1.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(azepan-1-yl)-1-piperidin-1-ylethanone (CID 39903845) is 2-(azepan-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(azepan-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(azepan-1-yl)-1-piperidin-1-ylethanone is O=C(CN1CCCCCC1)N1CCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is NIZHDFSYKCTNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13(15-10-6-3-7-11-15)12-14-8-4-1-2-5-9-14/h1-12H2.
What are the key properties of 2-(azepan-1-yl)-1-piperidin-1-ylethanone?
2-(azepan-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 224.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 39903845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).