9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one

C18H25N3O2 — CID 162627495

IUPAC9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2C(=O)Cc2cccnc2)C1=O
InChIInChI=1S/C18H25N3O2/c1-14(2)20-10-4-7-18(17(20)23)8-5-11-21(18)16(22)12-15-6-3-9-19-13-15/h3,6,9,13-14H,4-5,7-8,10-12H2,1-2H3
InChIKeyXIJCTBCZSFTGHO-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.02
Rot. Bonds3

About 9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one

9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162627495) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162627495
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2C(=O)Cc2cccnc2)C1=O
InChIInChI=1S/C18H25N3O2/c1-14(2)20-10-4-7-18(17(20)23)8-5-11-21(18)16(22)12-15-6-3-9-19-13-15/h3,6,9,13-14H,4-5,7-8,10-12H2,1-2H3
InChIKeyXIJCTBCZSFTGHO-UHFFFAOYSA-N
XLogP2.02
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162629332
1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162634428
N-methyl-2-pyrazin-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 127245834
2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide
CID 132776423
1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162634819
9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630006
1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone
CID 115799062
1-(1,5-dimethylpyrazole-4-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162629731
(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97195631
(5R)-N,N-dimethyl-9-(2-pyridin-3-ylacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97370537
2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid
CID 62691390
1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 72933718

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162627495) is 9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one is CC(C)N1CCCC2(CCCN2C(=O)Cc2cccnc2)C1=O.
What is the InChIKey of 9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is XIJCTBCZSFTGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(2)20-10-4-7-18(17(20)23)8-5-11-21(18)16(22)12-15-6-3-9-19-13-15/h3,6,9,13-14H,4-5,7-8,10-12H2,1-2H3.
What are the key properties of 9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one?
9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 315.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162627495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).