1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone

C15H28N2O2 — CID 58547158

IUPAC1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone
SMILESCC(C)N1CCC(OCC(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(2)16-10-6-14(7-11-16)19-12-15(18)17-8-4-3-5-9-17/h13-14H,3-12H2,1-2H3
InChIKeyFXSGBYMAMAMDEB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds4

About 1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone

1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone (PubChem CID 58547158) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone
PubChem CID58547158
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone
SMILESCC(C)N1CCC(OCC(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(2)16-10-6-14(7-11-16)19-12-15(18)17-8-4-3-5-9-17/h13-14H,3-12H2,1-2H3
InChIKeyFXSGBYMAMAMDEB-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone?
The IUPAC name of 1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone (CID 58547158) is 1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone is CC(C)N1CCC(OCC(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone?
The InChIKey is FXSGBYMAMAMDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(2)16-10-6-14(7-11-16)19-12-15(18)17-8-4-3-5-9-17/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone?
1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone has a molecular weight of 268.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone is sourced from PubChem (CID 58547158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).