2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

C15H27N3O — CID 120849524

IUPAC2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(CC3CCNCC3)CC2)C1=O
InChIInChI=1S/C15H27N3O/c1-17-9-4-15(14(17)19)5-10-18(11-6-15)12-13-2-7-16-8-3-13/h13,16H,2-12H2,1H3
InChIKeyZLJLMPSDVKTFGG-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.93
Rot. Bonds2

About 2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 120849524) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID120849524
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(CC3CCNCC3)CC2)C1=O
InChIInChI=1S/C15H27N3O/c1-17-9-4-15(14(17)19)5-10-18(11-6-15)12-13-2-7-16-8-3-13/h13,16H,2-12H2,1H3
InChIKeyZLJLMPSDVKTFGG-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-8-(2-piperidin-4-ylethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 166113679
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783
2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride
CID 68666401
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
(5R)-2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124537264
ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine
CID 165138084
2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449175
ethane;2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 166077351
N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine
CID 177055250
2-methyl-2-azaspiro[4.5]decane-1,8-dione
CID 90036749
2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride
CID 120854461

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 120849524) is 2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is CN1CCC2(CCN(CC3CCNCC3)CC2)C1=O.
What is the InChIKey of 2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is ZLJLMPSDVKTFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-17-9-4-15(14(17)19)5-10-18(11-6-15)12-13-2-7-16-8-3-13/h13,16H,2-12H2,1H3.
What are the key properties of 2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 265.40 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 120849524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).