1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one

C21H24N2O4 — CID 172668299

IUPAC1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one
SMILESCCC1CCCCN1C(=O)c1c(C)ccn(-c2ccc3c(c2)OCO3)c1=O
InChIInChI=1S/C21H24N2O4/c1-3-15-6-4-5-10-22(15)20(24)19-14(2)9-11-23(21(19)25)16-7-8-17-18(12-16)27-13-26-17/h7-9,11-12,15H,3-6,10,13H2,1-2H3
InChIKeyCBGWBGOZVWISKV-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.28
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one

1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one (PubChem CID 172668299) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one
PubChem CID172668299
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one
SMILESCCC1CCCCN1C(=O)c1c(C)ccn(-c2ccc3c(c2)OCO3)c1=O
InChIInChI=1S/C21H24N2O4/c1-3-15-6-4-5-10-22(15)20(24)19-14(2)9-11-23(21(19)25)16-7-8-17-18(12-16)27-13-26-17/h7-9,11-12,15H,3-6,10,13H2,1-2H3
InChIKeyCBGWBGOZVWISKV-UHFFFAOYSA-N
XLogP3.28
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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
1-(1,3-benzodioxol-5-yl)-4-methyl-3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 172670114
4-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 172665514
methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate
CID 172667156
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-N-(oxan-4-ylmethyl)-2-oxopyridine-3-carboxamide
CID 172670662
(E)-3-(1,3-benzodioxol-5-yl)-1-[(2R)-2-ethylpiperidin-1-yl]prop-2-en-1-one
CID 692638
1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172664338
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
methyl (2S,3S)-2-[[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate
CID 172667595

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one (CID 172668299) is 1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one is CCC1CCCCN1C(=O)c1c(C)ccn(-c2ccc3c(c2)OCO3)c1=O.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one?
The InChIKey is CBGWBGOZVWISKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-15-6-4-5-10-22(15)20(24)19-14(2)9-11-23(21(19)25)16-7-8-17-18(12-16)27-13-26-17/h7-9,11-12,15H,3-6,10,13H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one?
1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one has a molecular weight of 368.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one is sourced from PubChem (CID 172668299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).