(3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide

C18H22N2O4 — CID 95585461

IUPAC(3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)c2c1
InChIInChI=1S/C18H22N2O4/c1-10-4-5-12(17(19)21)9-20(10)18(22)16-11(2)24-15-7-6-13(23-3)8-14(15)16/h6-8,10,12H,4-5,9H2,1-3H3,(H2,19,21)/t10-,12+/m1/s1
InChIKeyBVRAWKSPNLGURY-PWSUYJOCSA-N
MW330.38 g/mol
LogP2.48
Rot. Bonds3

About (3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide

(3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 95585461) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide
PubChem CID95585461
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)c2c1
InChIInChI=1S/C18H22N2O4/c1-10-4-5-12(17(19)21)9-20(10)18(22)16-11(2)24-15-7-6-13(23-3)8-14(15)16/h6-8,10,12H,4-5,9H2,1-3H3,(H2,19,21)/t10-,12+/m1/s1
InChIKeyBVRAWKSPNLGURY-PWSUYJOCSA-N
XLogP2.48
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide with MolForge

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Related Compounds

[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methoxy-2-methyl-1-benzofuran-3-yl)methanone
CID 94487519
(5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 8502431
(5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 8502430
(2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide
CID 95346522
(2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid
CID 125151943
1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,4-diazepan-5-one
CID 56821206
(5-methoxy-2-methyl-1-benzofuran-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324260
(4-hydroxy-7-thia-1-azaspiro[4.4]nonan-1-yl)-(5-methoxy-2-methyl-1-benzofuran-3-yl)methanone
CID 167927268
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073
ethyl 5-methoxy-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 686798
N-cyclopropyl-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]acetamide
CID 55790290
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide (CID 95585461) is (3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide is COc1ccc2oc(C)c(C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)c2c1.
What is the InChIKey of (3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is BVRAWKSPNLGURY-PWSUYJOCSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-10-4-5-12(17(19)21)9-20(10)18(22)16-11(2)24-15-7-6-13(23-3)8-14(15)16/h6-8,10,12H,4-5,9H2,1-3H3,(H2,19,21)/t10-,12+/m1/s1.
What are the key properties of (3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide?
(3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95585461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).