3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one

C20H25N3O3 — CID 10760677

IUPAC3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC1=C(C(=O)N2CCN(c3ccccn3)CC2)C2(CCCCC2)OC1=O
InChIInChI=1S/C20H25N3O3/c1-15-17(20(26-19(15)25)8-4-2-5-9-20)18(24)23-13-11-22(12-14-23)16-7-3-6-10-21-16/h3,6-7,10H,2,4-5,8-9,11-14H2,1H3
InChIKeyKRMQCPYMCGCRDH-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.31
Rot. Bonds2

About 3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one

3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 10760677) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID10760677
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC1=C(C(=O)N2CCN(c3ccccn3)CC2)C2(CCCCC2)OC1=O
InChIInChI=1S/C20H25N3O3/c1-15-17(20(26-19(15)25)8-4-2-5-9-20)18(24)23-13-11-22(12-14-23)16-7-3-6-10-21-16/h3,6-7,10H,2,4-5,8-9,11-14H2,1H3
InChIKeyKRMQCPYMCGCRDH-UHFFFAOYSA-N
XLogP2.31
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one with MolForge

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Related Compounds

4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 20861483
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109298280
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363662
7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one
CID 175651576

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one (CID 10760677) is 3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one is CC1=C(C(=O)N2CCN(c3ccccn3)CC2)C2(CCCCC2)OC1=O.
What is the InChIKey of 3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is KRMQCPYMCGCRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-17(20(26-19(15)25)8-4-2-5-9-20)18(24)23-13-11-22(12-14-23)16-7-3-6-10-21-16/h3,6-7,10H,2,4-5,8-9,11-14H2,1H3.
What are the key properties of 3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one?
3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 355.44 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 10760677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).