3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one

C15H27N3O — CID 57431545

IUPAC3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one
SMILESCC1(N2CCC3(CCNC(=O)C3)CC2)CCNCC1
InChIInChI=1S/C15H27N3O/c1-14(2-7-16-8-3-14)18-10-5-15(6-11-18)4-9-17-13(19)12-15/h16H,2-12H2,1H3,(H,17,19)
InChIKeyLATKUQPLGRIHCK-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.12
Rot. Bonds1

About 3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one

3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one (PubChem CID 57431545) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one.

Molecular Properties

Compound Name3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one
PubChem CID57431545
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one
SMILESCC1(N2CCC3(CCNC(=O)C3)CC2)CCNCC1
InChIInChI=1S/C15H27N3O/c1-14(2-7-16-8-3-14)18-10-5-15(6-11-18)4-9-17-13(19)12-15/h16H,2-12H2,1H3,(H,17,19)
InChIKeyLATKUQPLGRIHCK-UHFFFAOYSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one?
The IUPAC name of 3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one (CID 57431545) is 3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one.
What is the SMILES notation for 3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one?
The canonical SMILES for 3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one is CC1(N2CCC3(CCNC(=O)C3)CC2)CCNCC1.
What is the InChIKey of 3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one?
The InChIKey is LATKUQPLGRIHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-14(2-7-16-8-3-14)18-10-5-15(6-11-18)4-9-17-13(19)12-15/h16H,2-12H2,1H3,(H,17,19).
What are the key properties of 3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one?
3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one has a molecular weight of 265.40 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one is sourced from PubChem (CID 57431545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).