3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one

C14H23NO3 — CID 104679174

IUPAC3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one
SMILESO=C1NCCCC1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H23NO3/c16-13-12(2-1-6-15-13)11-3-7-18-14(10-11)4-8-17-9-5-14/h11-12H,1-10H2,(H,15,16)
InChIKeyHYBQTLVQFYDVRU-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.49
Rot. Bonds1

About 3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one

3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one (PubChem CID 104679174) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one
PubChem CID104679174
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one
SMILESO=C1NCCCC1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H23NO3/c16-13-12(2-1-6-15-13)11-3-7-18-14(10-11)4-8-17-9-5-14/h11-12H,1-10H2,(H,15,16)
InChIKeyHYBQTLVQFYDVRU-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 79894496
(3S)-3-cyclohexylpiperidin-2-one
CID 124514859
3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidin-2-one
CID 79895755
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one
CID 79894647
4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one
CID 83196687
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine
CID 79922466
4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane
CID 79919791
4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79920154
4-(3-bromocycloheptyl)-1,9-dioxaspiro[5.5]undecane
CID 79923911
3-(2-oxopiperidin-4-yl)piperidin-2-one
CID 118294795
4-(3-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924284
3-(6-oxaspiro[4.5]decan-9-yl)piperidine
CID 104680600

Frequently Asked Questions

What is the IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one?
The IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one (CID 104679174) is 3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one.
What is the SMILES notation for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one?
The canonical SMILES for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one is O=C1NCCCC1C1CCOC2(CCOCC2)C1.
What is the InChIKey of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one?
The InChIKey is HYBQTLVQFYDVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13-12(2-1-6-15-13)11-3-7-18-14(10-11)4-8-17-9-5-14/h11-12H,1-10H2,(H,15,16).
What are the key properties of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one?
3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one has a molecular weight of 253.34 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one is sourced from PubChem (CID 104679174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).