1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone

C17H28N2O2 — CID 127355376

IUPAC1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC3(CCCCC3)C2)CC1
InChIInChI=1S/C17H28N2O2/c1-14(20)18-10-5-15(6-11-18)16(21)19-12-9-17(13-19)7-3-2-4-8-17/h15H,2-13H2,1H3
InChIKeyIFQXGTJMLFKXDV-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.43
Rot. Bonds1

About 1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone

1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone (PubChem CID 127355376) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone
PubChem CID127355376
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC3(CCCCC3)C2)CC1
InChIInChI=1S/C17H28N2O2/c1-14(20)18-10-5-15(6-11-18)16(21)19-12-9-17(13-19)7-3-2-4-8-17/h15H,2-13H2,1H3
InChIKeyIFQXGTJMLFKXDV-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone (CID 127355376) is 1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCC3(CCCCC3)C2)CC1.
What is the InChIKey of 1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is IFQXGTJMLFKXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(20)18-10-5-15(6-11-18)16(21)19-12-9-17(13-19)7-3-2-4-8-17/h15H,2-13H2,1H3.
What are the key properties of 1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone?
1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 292.42 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 127355376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).