N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide

C19H26N2O3 — CID 139269073

IUPACN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide
SMILESCC1CC(C)C(CNC(=O)c2ccc3c(c2)CC(C)(C)O3)C(=O)N1
InChIInChI=1S/C19H26N2O3/c1-11-7-12(2)21-18(23)15(11)10-20-17(22)13-5-6-16-14(8-13)9-19(3,4)24-16/h5-6,8,11-12,15H,7,9-10H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyPADJADZECIGNCX-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.29
Rot. Bonds3

About N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide (PubChem CID 139269073) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide
PubChem CID139269073
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide
SMILESCC1CC(C)C(CNC(=O)c2ccc3c(c2)CC(C)(C)O3)C(=O)N1
InChIInChI=1S/C19H26N2O3/c1-11-7-12(2)21-18(23)15(11)10-20-17(22)13-5-6-16-14(8-13)9-19(3,4)24-16/h5-6,8,11-12,15H,7,9-10H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyPADJADZECIGNCX-UHFFFAOYSA-N
XLogP2.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide (CID 139269073) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide is CC1CC(C)C(CNC(=O)c2ccc3c(c2)CC(C)(C)O3)C(=O)N1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide?
The InChIKey is PADJADZECIGNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-11-7-12(2)21-18(23)15(11)10-20-17(22)13-5-6-16-14(8-13)9-19(3,4)24-16/h5-6,8,11-12,15H,7,9-10H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide?
N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 139269073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).