1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide

C21H28N2O3 — CID 24790296

IUPAC1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(=O)c2oc3ccc(C)cc3c2C)CC1
InChIInChI=1S/C21H28N2O3/c1-5-22(6-2)20(24)16-9-11-23(12-10-16)21(25)19-15(4)17-13-14(3)7-8-18(17)26-19/h7-8,13,16H,5-6,9-12H2,1-4H3
InChIKeyLMLNSKXBQWHRQU-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.77
Rot. Bonds4

About 1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide

1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide (PubChem CID 24790296) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide
PubChem CID24790296
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(=O)c2oc3ccc(C)cc3c2C)CC1
InChIInChI=1S/C21H28N2O3/c1-5-22(6-2)20(24)16-9-11-23(12-10-16)21(25)19-15(4)17-13-14(3)7-8-18(17)26-19/h7-8,13,16H,5-6,9-12H2,1-4H3
InChIKeyLMLNSKXBQWHRQU-UHFFFAOYSA-N
XLogP3.77
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide (CID 24790296) is 1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(C(=O)c2oc3ccc(C)cc3c2C)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is LMLNSKXBQWHRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-5-22(6-2)20(24)16-9-11-23(12-10-16)21(25)19-15(4)17-13-14(3)7-8-18(17)26-19/h7-8,13,16H,5-6,9-12H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide?
1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 24790296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).