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

C19H27N3O2 — CID 155873107

IUPAC8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)C(=O)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1
InChIInChI=1S/C19H27N3O2/c1-18(2,3)17(24)21-12-8-19(9-13-21)7-4-16(23)22(19)14-15-5-10-20-11-6-15/h5-6,10-11H,4,7-9,12-14H2,1-3H3
InChIKeyRGHZXSQNDZXNAN-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.61
Rot. Bonds2

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

8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 155873107) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID155873107
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)C(=O)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1
InChIInChI=1S/C19H27N3O2/c1-18(2,3)17(24)21-12-8-19(9-13-21)7-4-16(23)22(19)14-15-5-10-20-11-6-15/h5-6,10-11H,4,7-9,12-14H2,1-3H3
InChIKeyRGHZXSQNDZXNAN-UHFFFAOYSA-N
XLogP2.61
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2,2-dimethylpropanoyl)-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155873980
1-(pyridin-4-ylmethyl)-8-(pyrrolidine-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493882
8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97397081
8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684896
1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
CID 131684846
N-cyclopropyl-2-oxo-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 134070992
8-(oxolane-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131650236
8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97372690
9-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155847690
8-(1H-pyrazol-4-ylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155879173
8-(oxan-4-ylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155864093
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 155873107) is 8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is CC(C)(C)C(=O)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1.
What is the InChIKey of 8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RGHZXSQNDZXNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-18(2,3)17(24)21-12-8-19(9-13-21)7-4-16(23)22(19)14-15-5-10-20-11-6-15/h5-6,10-11H,4,7-9,12-14H2,1-3H3.
What are the key properties of 8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 329.44 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155873107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).