8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

C22H31N3O2 — CID 131684896

IUPAC8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCC1CCC(C(=O)N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)CC1
InChIInChI=1S/C22H31N3O2/c1-17-2-4-19(5-3-17)21(27)24-14-10-22(11-15-24)9-6-20(26)25(22)16-18-7-12-23-13-8-18/h7-8,12-13,17,19H,2-6,9-11,14-16H2,1H3
InChIKeyCDJZASBGQCTWOD-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.39
Rot. Bonds3

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

8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131684896) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131684896
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCC1CCC(C(=O)N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)CC1
InChIInChI=1S/C22H31N3O2/c1-17-2-4-19(5-3-17)21(27)24-14-10-22(11-15-24)9-6-20(26)25(22)16-18-7-12-23-13-8-18/h7-8,12-13,17,19H,2-6,9-11,14-16H2,1H3
InChIKeyCDJZASBGQCTWOD-UHFFFAOYSA-N
XLogP3.39
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97397081
8-(oxolane-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131650236
1-(pyridin-4-ylmethyl)-8-(pyrrolidine-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493882
8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155873107
N-cyclopropyl-2-oxo-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 134070992
8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97372690
1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
CID 131684846
(5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97393244
8-(2,2-dimethylpropanoyl)-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155873980
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082
8-(1H-pyrazol-4-ylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155879173
9-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155847690

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 131684896) is 8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is CC1CCC(C(=O)N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)CC1.
What is the InChIKey of 8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CDJZASBGQCTWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17-2-4-19(5-3-17)21(27)24-14-10-22(11-15-24)9-6-20(26)25(22)16-18-7-12-23-13-8-18/h7-8,12-13,17,19H,2-6,9-11,14-16H2,1H3.
What are the key properties of 8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 369.51 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131684896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).