1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one

C16H28N2O3 — CID 91916304

IUPAC1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(OC2CCN(C(=O)CC)CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-15(19)17-9-5-13(6-10-17)21-14-7-11-18(12-8-14)16(20)4-2/h13-14H,3-12H2,1-2H3
InChIKeyGIHUWPYAOUIPHS-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.80
Rot. Bonds4

About 1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one

1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one (PubChem CID 91916304) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
PubChem CID91916304
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(OC2CCN(C(=O)CC)CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-15(19)17-9-5-13(6-10-17)21-14-7-11-18(12-8-14)16(20)4-2/h13-14H,3-12H2,1-2H3
InChIKeyGIHUWPYAOUIPHS-UHFFFAOYSA-N
XLogP1.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one (CID 91916304) is 1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one is CCC(=O)N1CCC(OC2CCN(C(=O)CC)CC2)CC1.
What is the InChIKey of 1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
The InChIKey is GIHUWPYAOUIPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-15(19)17-9-5-13(6-10-17)21-14-7-11-18(12-8-14)16(20)4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one has a molecular weight of 296.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 91916304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).