(2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide

C17H20N2O3 — CID 154843368

IUPAC(2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide
SMILESCc1oc2ccccc2c1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1
InChIInChI=1S/C17H20N2O3/c1-10-7-14(19-16(20)8-10)17(21)18-9-13-11(2)22-15-6-4-3-5-12(13)15/h3-6,10,14H,7-9H2,1-2H3,(H,18,21)(H,19,20)/t10-,14-/m1/s1
InChIKeyRVEHEFLSXIDXIN-QMTHXVAHSA-N
MW300.36 g/mol
LogP2.27
Rot. Bonds3

About (2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide

(2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide (PubChem CID 154843368) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide
PubChem CID154843368
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide
SMILESCc1oc2ccccc2c1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1
InChIInChI=1S/C17H20N2O3/c1-10-7-14(19-16(20)8-10)17(21)18-9-13-11(2)22-15-6-4-3-5-12(13)15/h3-6,10,14H,7-9H2,1-2H3,(H,18,21)(H,19,20)/t10-,14-/m1/s1
InChIKeyRVEHEFLSXIDXIN-QMTHXVAHSA-N
XLogP2.27
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide with MolForge

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Related Compounds

2-Methylbenzofuran, 26
CID 25138263
3-((2-Benzofuranylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453439
2-Isopropylbenzofuran, 27
CID 25138264
Cmdc.202100576, 23b
CID 146362646
4-Methyl-1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine
CID 12499516
3-{[1-(1-Benzofuran-2-yl)ethyl]amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one
CID 454421
3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 17173009
3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 24818395
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-1-benzofuran-6-carboxamide
CID 10445840
N-[2-(2-Benzyl-benzofuran-3-yl)-ethyl]-acetamide
CID 11098363
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carbonyl)cyclohexane-1-carboxamide
CID 57541295
1-[(3-Methyl-1-benzofuran-2-yl)carbonyl]piperazine
CID 24748005

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide (CID 154843368) is (2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide is Cc1oc2ccccc2c1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1.
What is the InChIKey of (2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide?
The InChIKey is RVEHEFLSXIDXIN-QMTHXVAHSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10-7-14(19-16(20)8-10)17(21)18-9-13-11(2)22-15-6-4-3-5-12(13)15/h3-6,10,14H,7-9H2,1-2H3,(H,18,21)(H,19,20)/t10-,14-/m1/s1.
What are the key properties of (2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide?
(2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 154843368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).