3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide

C21H29N3O3 — CID 128903269

IUPAC3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide
SMILESCN1CCC(N2CCC(NC(=O)c3cccc4c3OCC4(C)C)CC2)C1=O
InChIInChI=1S/C21H29N3O3/c1-21(2)13-27-18-15(5-4-6-16(18)21)19(25)22-14-7-11-24(12-8-14)17-9-10-23(3)20(17)26/h4-6,14,17H,7-13H2,1-3H3,(H,22,25)
InChIKeyFTGWXIVDRANEDV-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.78
Rot. Bonds3

About 3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide

3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide (PubChem CID 128903269) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide
PubChem CID128903269
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide
SMILESCN1CCC(N2CCC(NC(=O)c3cccc4c3OCC4(C)C)CC2)C1=O
InChIInChI=1S/C21H29N3O3/c1-21(2)13-27-18-15(5-4-6-16(18)21)19(25)22-14-7-11-24(12-8-14)17-9-10-23(3)20(17)26/h4-6,14,17H,7-13H2,1-3H3,(H,22,25)
InChIKeyFTGWXIVDRANEDV-UHFFFAOYSA-N
XLogP1.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide with MolForge

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Related Compounds

N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide
CID 122158233
4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide
CID 138997449
3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide
CID 129347326
3,3-dimethyl-N-propan-2-ylsulfonyl-2H-1-benzofuran-7-carboxamide
CID 136537953
N-cyclohexyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701671
2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide
CID 99840815
N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701727
2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 103855167
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
7-(hydroxyamino)-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-4-carboxamide
CID 143652684
1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 166208494
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(propylamino)benzamide
CID 106257709

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide?
The IUPAC name of 3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide (CID 128903269) is 3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide is CN1CCC(N2CCC(NC(=O)c3cccc4c3OCC4(C)C)CC2)C1=O.
What is the InChIKey of 3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide?
The InChIKey is FTGWXIVDRANEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-21(2)13-27-18-15(5-4-6-16(18)21)19(25)22-14-7-11-24(12-8-14)17-9-10-23(3)20(17)26/h4-6,14,17H,7-13H2,1-3H3,(H,22,25).
What are the key properties of 3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide?
3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide is sourced from PubChem (CID 128903269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).