1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one

C17H26N2O3 — CID 91912864

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
SMILESO=C(C1CC1)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C17H26N2O3/c20-14-16(22)19(17(14)8-2-1-3-9-17)13-6-10-18(11-7-13)15(21)12-4-5-12/h12-14,20H,1-11H2
InChIKeyIWLSGUFUNPDWEB-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.29
Rot. Bonds2

About 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one (PubChem CID 91912864) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
PubChem CID91912864
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
SMILESO=C(C1CC1)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C17H26N2O3/c20-14-16(22)19(17(14)8-2-1-3-9-17)13-6-10-18(11-7-13)15(21)12-4-5-12/h12-14,20H,1-11H2
InChIKeyIWLSGUFUNPDWEB-UHFFFAOYSA-N
XLogP1.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one (CID 91912864) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one is O=C(C1CC1)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
The InChIKey is IWLSGUFUNPDWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c20-14-16(22)19(17(14)8-2-1-3-9-17)13-6-10-18(11-7-13)15(21)12-4-5-12/h12-14,20H,1-11H2.
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91912864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).