2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C17H22N2O3 — CID 91793022

IUPAC2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1Cc2cc(C(=O)NCCN3CCCCC3=O)ccc2O1
InChIInChI=1S/C17H22N2O3/c1-12-10-14-11-13(5-6-15(14)22-12)17(21)18-7-9-19-8-3-2-4-16(19)20/h5-6,11-12H,2-4,7-10H2,1H3,(H,18,21)
InChIKeyVGXMATKEYZTAOT-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.75
Rot. Bonds4

About 2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide

2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 91793022) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID91793022
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1Cc2cc(C(=O)NCCN3CCCCC3=O)ccc2O1
InChIInChI=1S/C17H22N2O3/c1-12-10-14-11-13(5-6-15(14)22-12)17(21)18-7-9-19-8-3-2-4-16(19)20/h5-6,11-12H,2-4,7-10H2,1H3,(H,18,21)
InChIKeyVGXMATKEYZTAOT-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzamide, 4-methoxy-N-(3-(4-morpholinyl)propyl)-
CID 95240
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
4-Ethoxy-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2850672
N-(3,3-Dimethyl-butyl)-4-hexyloxy-benzamide
CID 10979664
2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218485
2-{[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218486
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218495
N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 25218672
(2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 132004022
(3S)-N7,3-dimethyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
CID 138533983
(4-Cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone
CID 24855949

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of 2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 91793022) is 2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide is CC1Cc2cc(C(=O)NCCN3CCCCC3=O)ccc2O1.
What is the InChIKey of 2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is VGXMATKEYZTAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-10-14-11-13(5-6-15(14)22-12)17(21)18-7-9-19-8-3-2-4-16(19)20/h5-6,11-12H,2-4,7-10H2,1H3,(H,18,21).
What are the key properties of 2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 91793022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).