2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone

C18H34N2O2 — CID 172511223

IUPAC2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone
SMILESCC(C)OCC(=O)N1CCC(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O2/c1-14(2)19-9-5-16(6-10-19)17-7-11-20(12-8-17)18(21)13-22-15(3)4/h14-17H,5-13H2,1-4H3
InChIKeyVDMKUIGLOZZPTG-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.77
Rot. Bonds5

About 2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone

2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 172511223) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone
PubChem CID172511223
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone
SMILESCC(C)OCC(=O)N1CCC(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O2/c1-14(2)19-9-5-16(6-10-19)17-7-11-20(12-8-17)18(21)13-22-15(3)4/h14-17H,5-13H2,1-4H3
InChIKeyVDMKUIGLOZZPTG-UHFFFAOYSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone (CID 172511223) is 2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone is CC(C)OCC(=O)N1CCC(C2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is VDMKUIGLOZZPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-14(2)19-9-5-16(6-10-19)17-7-11-20(12-8-17)18(21)13-22-15(3)4/h14-17H,5-13H2,1-4H3.
What are the key properties of 2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone?
2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 310.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 172511223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).