9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one

C18H25N3O — CID 162628253

IUPAC9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(CN2CCCC23CCCN(C2CC2)C3=O)nc1
InChIInChI=1S/C18H25N3O/c1-14-4-5-15(19-12-14)13-20-10-2-8-18(20)9-3-11-21(17(18)22)16-6-7-16/h4-5,12,16H,2-3,6-11,13H2,1H3
InChIKeyIMLFFVAMLCPUHY-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.51
Rot. Bonds3

About 9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one

9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162628253) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162628253
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(CN2CCCC23CCCN(C2CC2)C3=O)nc1
InChIInChI=1S/C18H25N3O/c1-14-4-5-15(19-12-14)13-20-10-2-8-18(20)9-3-11-21(17(18)22)16-6-7-16/h4-5,12,16H,2-3,6-11,13H2,1H3
InChIKeyIMLFFVAMLCPUHY-UHFFFAOYSA-N
XLogP2.51
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162628253) is 9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is Cc1ccc(CN2CCCC23CCCN(C2CC2)C3=O)nc1.
What is the InChIKey of 9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is IMLFFVAMLCPUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-4-5-15(19-12-14)13-20-10-2-8-18(20)9-3-11-21(17(18)22)16-6-7-16/h4-5,12,16H,2-3,6-11,13H2,1H3.
What are the key properties of 9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 299.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162628253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).