(3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one

C14H24N2O — CID 164640347

IUPAC(3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one
SMILESO=C1NCCC[C@@H]1N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H24N2O/c17-13-12(4-3-9-15-13)16-10-7-14(8-11-16)5-1-2-6-14/h12H,1-11H2,(H,15,17)/t12-/m0/s1
InChIKeyAECANVSNWGLKRR-LBPRGKRZSA-N
MW236.36 g/mol
LogP1.92
Rot. Bonds1

About (3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one

(3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one (PubChem CID 164640347) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one
PubChem CID164640347
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one
SMILESO=C1NCCC[C@@H]1N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H24N2O/c17-13-12(4-3-9-15-13)16-10-7-14(8-11-16)5-1-2-6-14/h12H,1-11H2,(H,15,17)/t12-/m0/s1
InChIKeyAECANVSNWGLKRR-LBPRGKRZSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one?
The IUPAC name of (3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one (CID 164640347) is (3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one.
What is the SMILES notation for (3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one?
The canonical SMILES for (3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one is O=C1NCCC[C@@H]1N1CCC2(CCCC2)CC1.
What is the InChIKey of (3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one?
The InChIKey is AECANVSNWGLKRR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O/c17-13-12(4-3-9-15-13)16-10-7-14(8-11-16)5-1-2-6-14/h12H,1-11H2,(H,15,17)/t12-/m0/s1.
What are the key properties of (3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one?
(3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one has a molecular weight of 236.36 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one is sourced from PubChem (CID 164640347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).