1-(2-piperidin-4-ylazepan-1-yl)ethanone

C13H24N2O — CID 54592721

IUPAC1-(2-piperidin-4-ylazepan-1-yl)ethanone
SMILESCC(=O)N1CCCCCC1C1CCNCC1
InChIInChI=1S/C13H24N2O/c1-11(16)15-10-4-2-3-5-13(15)12-6-8-14-9-7-12/h12-14H,2-10H2,1H3
InChIKeyPGPPWUWWIXVYRC-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds1

About 1-(2-piperidin-4-ylazepan-1-yl)ethanone

1-(2-piperidin-4-ylazepan-1-yl)ethanone (PubChem CID 54592721) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(2-piperidin-4-ylazepan-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-piperidin-4-ylazepan-1-yl)ethanone
PubChem CID54592721
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(2-piperidin-4-ylazepan-1-yl)ethanone
SMILESCC(=O)N1CCCCCC1C1CCNCC1
InChIInChI=1S/C13H24N2O/c1-11(16)15-10-4-2-3-5-13(15)12-6-8-14-9-7-12/h12-14H,2-10H2,1H3
InChIKeyPGPPWUWWIXVYRC-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-ylazepan-1-yl)ethanone?
The IUPAC name of 1-(2-piperidin-4-ylazepan-1-yl)ethanone (CID 54592721) is 1-(2-piperidin-4-ylazepan-1-yl)ethanone.
What is the SMILES notation for 1-(2-piperidin-4-ylazepan-1-yl)ethanone?
The canonical SMILES for 1-(2-piperidin-4-ylazepan-1-yl)ethanone is CC(=O)N1CCCCCC1C1CCNCC1.
What is the InChIKey of 1-(2-piperidin-4-ylazepan-1-yl)ethanone?
The InChIKey is PGPPWUWWIXVYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(16)15-10-4-2-3-5-13(15)12-6-8-14-9-7-12/h12-14H,2-10H2,1H3.
What are the key properties of 1-(2-piperidin-4-ylazepan-1-yl)ethanone?
1-(2-piperidin-4-ylazepan-1-yl)ethanone has a molecular weight of 224.35 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-ylazepan-1-yl)ethanone is sourced from PubChem (CID 54592721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).