3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane

C18H35N3 — CID 64946723

IUPAC3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1CC1CCCN(C)C1
InChIInChI=1S/C18H35N3/c1-3-17-12-19-18(9-5-4-6-10-18)15-21(17)14-16-8-7-11-20(2)13-16/h16-17,19H,3-15H2,1-2H3
InChIKeyFPAAZLODPRETOC-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.71
Rot. Bonds3

About 3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane

3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 64946723) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID64946723
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1CC1CCCN(C)C1
InChIInChI=1S/C18H35N3/c1-3-17-12-19-18(9-5-4-6-10-18)15-21(17)14-16-8-7-11-20(2)13-16/h16-17,19H,3-15H2,1-2H3
InChIKeyFPAAZLODPRETOC-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(1-methylpiperidin-3-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947685
9-(2-cyclohexylethyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934961
3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106733186
4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64939473
8-ethyl-9-(oxan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877745
8-ethyl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64878514
8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane
CID 82947690
4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine
CID 64945821
3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane
CID 113466942
8-ethyl-9-[3-(2-methoxyethoxy)propyl]-6,9-diazaspiro[4.5]decane
CID 103414318
4-(cyclobutylmethyl)-3-cyclopropyl-1,4-diazaspiro[5.5]undecane
CID 65461677
3-butan-2-yl-4-(cyclopropylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64877428

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane (CID 64946723) is 3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane is CCC1CNC2(CCCCC2)CN1CC1CCCN(C)C1.
What is the InChIKey of 3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is FPAAZLODPRETOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-3-17-12-19-18(9-5-4-6-10-18)15-21(17)14-16-8-7-11-20(2)13-16/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane?
3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 293.50 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64946723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).