1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone

C17H29NO2 — CID 79906102

IUPAC1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C17H29NO2/c1-14(19)15-5-10-18(11-6-15)16-7-12-20-17(13-16)8-3-2-4-9-17/h15-16H,2-13H2,1H3
InChIKeyVUMCUSYUOKRQHQ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.17
Rot. Bonds2

About 1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone

1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone (PubChem CID 79906102) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
PubChem CID79906102
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C17H29NO2/c1-14(19)15-5-10-18(11-6-15)16-7-12-20-17(13-16)8-3-2-4-9-17/h15-16H,2-13H2,1H3
InChIKeyVUMCUSYUOKRQHQ-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79905880
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)azetidin-3-ol
CID 79920128
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid
CID 104598676
2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine
CID 79901324
2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
CID 79894445
4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide
CID 107161984
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone (CID 79906102) is 1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone is CC(=O)C1CCN(C2CCOC3(CCCCC3)C2)CC1.
What is the InChIKey of 1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone?
The InChIKey is VUMCUSYUOKRQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(19)15-5-10-18(11-6-15)16-7-12-20-17(13-16)8-3-2-4-9-17/h15-16H,2-13H2,1H3.
What are the key properties of 1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone?
1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone has a molecular weight of 279.42 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 79906102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).