1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

C24H27N3O4 — CID 46589177

IUPAC1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CC(=O)N(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C24H27N3O4/c28-23-12-18(15-27(23)20-6-7-21-22(13-20)31-16-30-21)24(29)25-19-8-10-26(11-9-19)14-17-4-2-1-3-5-17/h1-7,13,18-19H,8-12,14-16H2,(H,25,29)
InChIKeyCVVWVGITZFYERC-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.55
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46589177) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46589177
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CC(=O)N(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C24H27N3O4/c28-23-12-18(15-27(23)20-6-7-21-22(13-20)31-16-30-21)24(29)25-19-8-10-26(11-9-19)14-17-4-2-1-3-5-17/h1-7,13,18-19H,8-12,14-16H2,(H,25,29)
InChIKeyCVVWVGITZFYERC-UHFFFAOYSA-N
XLogP2.55
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39315004
N-cyclooctyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 42996336
N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321736
N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55360345
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 41411831
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
CID 119387074
1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 75366107
N-(1-benzylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9114216
N-(1-benzylpiperidin-4-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53181864
N-(1-benzylpyrrolidin-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75460856
1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 55581670

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 46589177) is 1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1CC(=O)N(c2ccc3c(c2)OCO3)C1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CVVWVGITZFYERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c28-23-12-18(15-27(23)20-6-7-21-22(13-20)31-16-30-21)24(29)25-19-8-10-26(11-9-19)14-17-4-2-1-3-5-17/h1-7,13,18-19H,8-12,14-16H2,(H,25,29).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.55, 5 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-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46589177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).