1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone

C15H28N2O2 — CID 56787481

IUPAC1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCC(O)C1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(18)14-6-10-16(11-7-14)12-15(19)17-8-4-2-3-5-9-17/h13-14,18H,2-12H2,1H3
InChIKeyWUEVMOSMJCUOOA-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.48
Rot. Bonds3

About 1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone

1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 56787481) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID56787481
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCC(O)C1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(18)14-6-10-16(11-7-14)12-15(19)17-8-4-2-3-5-9-17/h13-14,18H,2-12H2,1H3
InChIKeyWUEVMOSMJCUOOA-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone (CID 56787481) is 1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone is CC(O)C1CCN(CC(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is WUEVMOSMJCUOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(18)14-6-10-16(11-7-14)12-15(19)17-8-4-2-3-5-9-17/h13-14,18H,2-12H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56787481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).