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

C20H29N3O — CID 143229463

IUPAC2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(N2CCCC3(CCN(C4CCCCC4)C3=O)C2)nc1
InChIInChI=1S/C20H29N3O/c1-16-8-9-18(21-14-16)22-12-5-10-20(15-22)11-13-23(19(20)24)17-6-3-2-4-7-17/h8-9,14,17H,2-7,10-13,15H2,1H3
InChIKeyUTZPXKXTYUWJKH-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.54
Rot. Bonds2

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

2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 143229463) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID143229463
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(N2CCCC3(CCN(C4CCCCC4)C3=O)C2)nc1
InChIInChI=1S/C20H29N3O/c1-16-8-9-18(21-14-16)22-12-5-10-20(15-22)11-13-23(19(20)24)17-6-3-2-4-7-17/h8-9,14,17H,2-7,10-13,15H2,1H3
InChIKeyUTZPXKXTYUWJKH-UHFFFAOYSA-N
XLogP3.54
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one (CID 143229463) is 2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one is Cc1ccc(N2CCCC3(CCN(C4CCCCC4)C3=O)C2)nc1.
What is the InChIKey of 2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is UTZPXKXTYUWJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-16-8-9-18(21-14-16)22-12-5-10-20(15-22)11-13-23(19(20)24)17-6-3-2-4-7-17/h8-9,14,17H,2-7,10-13,15H2,1H3.
What are the key properties of 2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 327.47 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 143229463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).