1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone

C17H30N2O — CID 62932288

IUPAC1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone
SMILESO=C(CC1CCCNC1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H30N2O/c20-16(13-15-5-4-10-18-14-15)19-11-8-17(9-12-19)6-2-1-3-7-17/h15,18H,1-14H2
InChIKeyNNGJUUDMFCIUCC-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.95
Rot. Bonds2

About 1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone

1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone (PubChem CID 62932288) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone.

Molecular Properties

Compound Name1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone
PubChem CID62932288
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone
SMILESO=C(CC1CCCNC1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H30N2O/c20-16(13-15-5-4-10-18-14-15)19-11-8-17(9-12-19)6-2-1-3-7-17/h15,18H,1-14H2
InChIKeyNNGJUUDMFCIUCC-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone
CID 64609584
1-(1-oxo-1,4-thiazinan-4-yl)-2-piperidin-3-ylethanone
CID 62691071
1-(4-methoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62690713
3-(2-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane
CID 62937065
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone
CID 79611050
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylethanone
CID 106835886
2-cyclohexyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)ethanone
CID 102849929
1-(4-ethoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62691409
methyl 1-(2-piperidin-3-ylacetyl)piperidine-4-carboxylate
CID 62674333
1-(3-ethylpiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62689348
2-cyclobutyl-1-(4-piperidin-3-ylpiperazin-1-yl)ethanone
CID 115277281
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone
CID 107218340

Frequently Asked Questions

What is the IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone?
The IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone (CID 62932288) is 1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone.
What is the SMILES notation for 1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone?
The canonical SMILES for 1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone is O=C(CC1CCCNC1)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone?
The InChIKey is NNGJUUDMFCIUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c20-16(13-15-5-4-10-18-14-15)19-11-8-17(9-12-19)6-2-1-3-7-17/h15,18H,1-14H2.
What are the key properties of 1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone?
1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone has a molecular weight of 278.44 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone is sourced from PubChem (CID 62932288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).