3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone

C18H32N2O — CID 114428966

IUPAC3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone
SMILESCCC1CCNC(C(=O)N2CCC3(CCCCC3)CC2)C1
InChIInChI=1S/C18H32N2O/c1-2-15-6-11-19-16(14-15)17(21)20-12-9-18(10-13-20)7-4-3-5-8-18/h15-16,19H,2-14H2,1H3
InChIKeyAAAYQNUDEVALIH-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.34
Rot. Bonds2

About 3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone

3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone (PubChem CID 114428966) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone
PubChem CID114428966
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone
SMILESCCC1CCNC(C(=O)N2CCC3(CCCCC3)CC2)C1
InChIInChI=1S/C18H32N2O/c1-2-15-6-11-19-16(14-15)17(21)20-12-9-18(10-13-20)7-4-3-5-8-18/h15-16,19H,2-14H2,1H3
InChIKeyAAAYQNUDEVALIH-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid
CID 114428986
1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114428989
(4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428788
(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428893
N-[1-(4-ethylpiperidine-2-carbonyl)piperidin-4-yl]acetamide
CID 114429479
(4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107220216
(4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 114428564
(4-ethylpiperidin-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 114429590
(4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 114429600
N-[1-(4-ethylpiperidine-2-carbonyl)piperidin-3-yl]acetamide
CID 114428489
3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114429367
1-(4-ethylpiperidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976061

Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone?
The IUPAC name of 3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone (CID 114428966) is 3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone.
What is the SMILES notation for 3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone?
The canonical SMILES for 3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone is CCC1CCNC(C(=O)N2CCC3(CCCCC3)CC2)C1.
What is the InChIKey of 3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone?
The InChIKey is AAAYQNUDEVALIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-2-15-6-11-19-16(14-15)17(21)20-12-9-18(10-13-20)7-4-3-5-8-18/h15-16,19H,2-14H2,1H3.
What are the key properties of 3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone?
3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone has a molecular weight of 292.47 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone is sourced from PubChem (CID 114428966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).