2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride

C18H34ClN3O — CID 119933510

IUPAC2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC1CCCC(C)N1C(=O)CN1CCNCC12CCCCC2.Cl
InChIInChI=1S/C18H33N3O.ClH/c1-15-7-6-8-16(2)21(15)17(22)13-20-12-11-19-14-18(20)9-4-3-5-10-18;/h15-16,19H,3-14H2,1-2H3;1H
InChIKeyJJXLRBZZKUMLAE-UHFFFAOYSA-N
MW343.94 g/mol
LogP2.81
Rot. Bonds2

About 2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride

2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119933510) has the molecular formula C18H34ClN3O and a molecular weight of 343.94 g/mol. Its IUPAC name is 2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID119933510
Molecular FormulaC18H34ClN3O
Molecular Weight343.94 g/mol
Exact Mass343.24
IUPAC Name2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC1CCCC(C)N1C(=O)CN1CCNCC12CCCCC2.Cl
InChIInChI=1S/C18H33N3O.ClH/c1-15-7-6-8-16(2)21(15)17(22)13-20-12-11-19-14-18(20)9-4-3-5-10-18;/h15-16,19H,3-14H2,1-2H3;1H
InChIKeyJJXLRBZZKUMLAE-UHFFFAOYSA-N
XLogP2.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.94
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride (CID 119933510) is 2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride is CC1CCCC(C)N1C(=O)CN1CCNCC12CCCCC2.Cl.
What is the InChIKey of 2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is JJXLRBZZKUMLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O.ClH/c1-15-7-6-8-16(2)21(15)17(22)13-20-12-11-19-14-18(20)9-4-3-5-10-18;/h15-16,19H,3-14H2,1-2H3;1H.
What are the key properties of 2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride?
2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 343.94 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119933510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).