1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C24H28N2O5 — CID 5308385

IUPAC1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCC(=O)N(c2ccc3c(c2)OCO3)C1c1ccc(OC)cc1
InChIInChI=1S/C24H28N2O5/c1-4-15(2)25-24(28)19-10-12-22(27)26(17-7-11-20-21(13-17)31-14-30-20)23(19)16-5-8-18(29-3)9-6-16/h5-9,11,13,15,19,23H,4,10,12,14H2,1-3H3,(H,25,28)
InChIKeyYJLQBDQPQIUHKW-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.82
Rot. Bonds6

About 1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 5308385) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID5308385
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCC(=O)N(c2ccc3c(c2)OCO3)C1c1ccc(OC)cc1
InChIInChI=1S/C24H28N2O5/c1-4-15(2)25-24(28)19-10-12-22(27)26(17-7-11-20-21(13-17)31-14-30-20)23(19)16-5-8-18(29-3)9-6-16/h5-9,11,13,15,19,23H,4,10,12,14H2,1-3H3,(H,25,28)
InChIKeyYJLQBDQPQIUHKW-UHFFFAOYSA-N
XLogP3.82
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
8-(2-ethoxyphenyl)-7,8-dihydro-(1,3)dioxolo(4,5-g)quinolin-6(5H)-one
CID 656346
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-1,3-benzodioxol-5-yl-N'-(4-methylcyclohexyl)ethanediamide
CID 2223231
N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497309
N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497655
1-(1,3-Benzodioxol-5-yl)-3-(1-benzylpiperidin-4-yl)urea
CID 2211100
phenylmethyl 2-(N-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)carbamoyl)pyrrolidinecarbo xylate
CID 2876217
4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-2(1H)-quinolinone
CID 2964923
8-(2-propoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3245942
2-(benzo[d][1,3]dioxol-5-yl)-N-(3-(3-morpholinopropoxy)phenyl)acetamide
CID 25014612
(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-11,13,15-triene-4,7-dione
CID 44387675

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 5308385) is 1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is CCC(C)NC(=O)C1CCC(=O)N(c2ccc3c(c2)OCO3)C1c1ccc(OC)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is YJLQBDQPQIUHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-4-15(2)25-24(28)19-10-12-22(27)26(17-7-11-20-21(13-17)31-14-30-20)23(19)16-5-8-18(29-3)9-6-16/h5-9,11,13,15,19,23H,4,10,12,14H2,1-3H3,(H,25,28).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-butan-2-yl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 5308385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).