9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

C18H27N3O — CID 134073846

IUPAC9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC(C)CN1CCCC2(CCC(=O)N2Cc2ccncc2)C1
InChIInChI=1S/C18H27N3O/c1-15(2)12-20-11-3-7-18(14-20)8-4-17(22)21(18)13-16-5-9-19-10-6-16/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3
InChIKeyKFIAMEMHLHBYES-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.69
Rot. Bonds4

About 9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 134073846) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID134073846
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC(C)CN1CCCC2(CCC(=O)N2Cc2ccncc2)C1
InChIInChI=1S/C18H27N3O/c1-15(2)12-20-11-3-7-18(14-20)8-4-17(22)21(18)13-16-5-9-19-10-6-16/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3
InChIKeyKFIAMEMHLHBYES-UHFFFAOYSA-N
XLogP2.69
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 134073846) is 9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is CC(C)CN1CCCC2(CCC(=O)N2Cc2ccncc2)C1.
What is the InChIKey of 9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is KFIAMEMHLHBYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-15(2)12-20-11-3-7-18(14-20)8-4-17(22)21(18)13-16-5-9-19-10-6-16/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of 9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 301.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134073846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).