5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide

C30H35N3O3 — CID 26338813

IUPAC5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCN(Cc1ccc2ncccc2c1)C(=O)c1cc2cc(C3(O)CCN(CC(C)(C)C)CC3)ccc2o1
InChIInChI=1S/C30H35N3O3/c1-29(2,3)20-33-14-11-30(35,12-15-33)24-8-10-26-23(17-24)18-27(36-26)28(34)32(4)19-21-7-9-25-22(16-21)6-5-13-31-25/h5-10,13,16-18,35H,11-12,14-15,19-20H2,1-4H3
InChIKeyHLHVBGZQVIJVIN-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.58
Rot. Bonds5

About 5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide

5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 26338813) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is 5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID26338813
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC Name5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCN(Cc1ccc2ncccc2c1)C(=O)c1cc2cc(C3(O)CCN(CC(C)(C)C)CC3)ccc2o1
InChIInChI=1S/C30H35N3O3/c1-29(2,3)20-33-14-11-30(35,12-15-33)24-8-10-26-23(17-24)18-27(36-26)28(34)32(4)19-21-7-9-25-22(16-21)6-5-13-31-25/h5-10,13,16-18,35H,11-12,14-15,19-20H2,1-4H3
InChIKeyHLHVBGZQVIJVIN-UHFFFAOYSA-N
XLogP5.58
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

5-[4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide
CID 42371656
5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide
CID 26347474
5-[4-hydroxy-1-[(2R)-2-methylbutyl]piperidin-4-yl]-N-methyl-N-(quinolin-5-ylmethyl)-1-benzofuran-2-carboxamide
CID 26339566
5-[1-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 42473090
5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
CID 42485211
N,4-dimethyl-N-(quinolin-6-ylmethyl)benzamide
CID 121451784
5-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 26352465
3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea
CID 122563843
N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide
CID 90652812
(4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide
CID 126446117
1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-6-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide
CID 92635626
tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate
CID 103775238

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide (CID 26338813) is 5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide is CN(Cc1ccc2ncccc2c1)C(=O)c1cc2cc(C3(O)CCN(CC(C)(C)C)CC3)ccc2o1.
What is the InChIKey of 5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is HLHVBGZQVIJVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-29(2,3)20-33-14-11-30(35,12-15-33)24-8-10-26-23(17-24)18-27(36-26)28(34)32(4)19-21-7-9-25-22(16-21)6-5-13-31-25/h5-10,13,16-18,35H,11-12,14-15,19-20H2,1-4H3.
What are the key properties of 5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide?
5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26338813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).