methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate

C23H26N2O6 — CID 172667156

IUPACmethyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate
SMILESCOC(=O)CCC1CCCN(C(=O)c2c(C)ccn(-c3ccc4c(c3)OCO4)c2=O)C1
InChIInChI=1S/C23H26N2O6/c1-15-9-11-25(17-6-7-18-19(12-17)31-14-30-18)23(28)21(15)22(27)24-10-3-4-16(13-24)5-8-20(26)29-2/h6-7,9,11-12,16H,3-5,8,10,13-14H2,1-2H3
InChIKeyYFLJPRZVOPBBRB-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.68
Rot. Bonds5

About methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate

methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate (PubChem CID 172667156) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate
PubChem CID172667156
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Namemethyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate
SMILESCOC(=O)CCC1CCCN(C(=O)c2c(C)ccn(-c3ccc4c(c3)OCO4)c2=O)C1
InChIInChI=1S/C23H26N2O6/c1-15-9-11-25(17-6-7-18-19(12-17)31-14-30-18)23(28)21(15)22(27)24-10-3-4-16(13-24)5-8-20(26)29-2/h6-7,9,11-12,16H,3-5,8,10,13-14H2,1-2H3
InChIKeyYFLJPRZVOPBBRB-UHFFFAOYSA-N
XLogP2.68
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-benzodioxol-5-yl)-4-methyl-3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 172670114
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1-(1,3-benzodioxol-5-yl)-4-methylpyridin-2-one
CID 172658823
4-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 172665514
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(oxan-4-ylmethyl)-2-oxopyridine-3-carboxamide
CID 172670662
1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 172656969
6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 172660870
2-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 172656615
1-(1,3-benzodioxol-5-yl)-4-methyl-3-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]pyridin-2-one
CID 172659838
1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one
CID 172668075
methyl (2S,3S)-2-[[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate
CID 172667595
1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172664338
1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172669484

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate (CID 172667156) is methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate is COC(=O)CCC1CCCN(C(=O)c2c(C)ccn(-c3ccc4c(c3)OCO4)c2=O)C1.
What is the InChIKey of methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate?
The InChIKey is YFLJPRZVOPBBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-15-9-11-25(17-6-7-18-19(12-17)31-14-30-18)23(28)21(15)22(27)24-10-3-4-16(13-24)5-8-20(26)29-2/h6-7,9,11-12,16H,3-5,8,10,13-14H2,1-2H3.
What are the key properties of methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate?
methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate has a molecular weight of 426.47 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate is sourced from PubChem (CID 172667156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).