N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C18H24N2O3 — CID 2469436

IUPACN-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NN3[C@@H](C)CCC[C@@H]3C)c(C)c2c1
InChIInChI=1S/C18H24N2O3/c1-11-6-5-7-12(2)20(11)19-18(21)17-13(3)15-10-14(22-4)8-9-16(15)23-17/h8-12H,5-7H2,1-4H3,(H,19,21)/t11-,12-/m0/s1
InChIKeyCWBXKEJDCLRRRL-RYUDHWBXSA-N
MW316.40 g/mol
LogP3.66
Rot. Bonds3

About N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2469436) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2469436
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NN3[C@@H](C)CCC[C@@H]3C)c(C)c2c1
InChIInChI=1S/C18H24N2O3/c1-11-6-5-7-12(2)20(11)19-18(21)17-13(3)15-10-14(22-4)8-9-16(15)23-17/h8-12H,5-7H2,1-4H3,(H,19,21)/t11-,12-/m0/s1
InChIKeyCWBXKEJDCLRRRL-RYUDHWBXSA-N
XLogP3.66
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylpiperidin-1-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 3506352
(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
N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
[1-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 3960285
N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 97003008
1-cyclopentyl-3-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9090114
N-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-5-methoxybenzamide
CID 115279910
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
2-amino-N-(2,6-dimethylpiperidin-1-yl)-4-methoxybenzamide
CID 83021113
5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 55659157

Frequently Asked Questions

What is the IUPAC name of N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 2469436) is N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NN3[C@@H](C)CCC[C@@H]3C)c(C)c2c1.
What is the InChIKey of N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is CWBXKEJDCLRRRL-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11-6-5-7-12(2)20(11)19-18(21)17-13(3)15-10-14(22-4)8-9-16(15)23-17/h8-12H,5-7H2,1-4H3,(H,19,21)/t11-,12-/m0/s1.
What are the key properties of N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2469436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).