1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide

C35H45N3O2 — CID 70343150

IUPAC1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(C(C)N1CCC(C(=O)NCCC(c3ccccc3)c3ccccc3)CC1)O2
InChIInChI=1S/C35H45N3O2/c1-23-24(2)33-31(25(3)32(23)36)22-35(5,40-33)26(4)38-20-17-29(18-21-38)34(39)37-19-16-30(27-12-8-6-9-13-27)28-14-10-7-11-15-28/h6-15,26,29-30H,16-22,36H2,1-5H3,(H,37,39)
InChIKeyDFEIIRFQULTXNF-UHFFFAOYSA-N
MW539.76 g/mol
LogP6.33
Rot. Bonds8

About 1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide

1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide (PubChem CID 70343150) has the molecular formula C35H45N3O2 and a molecular weight of 539.76 g/mol. Its IUPAC name is 1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
PubChem CID70343150
Molecular FormulaC35H45N3O2
Molecular Weight539.76 g/mol
Exact Mass539.35
IUPAC Name1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(C(C)N1CCC(C(=O)NCCC(c3ccccc3)c3ccccc3)CC1)O2
InChIInChI=1S/C35H45N3O2/c1-23-24(2)33-31(25(3)32(23)36)22-35(5,40-33)26(4)38-20-17-29(18-21-38)34(39)37-19-16-30(27-12-8-6-9-13-27)28-14-10-7-11-15-28/h6-15,26,29-30H,16-22,36H2,1-5H3,(H,37,39)
InChIKeyDFEIIRFQULTXNF-UHFFFAOYSA-N
XLogP6.33
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.76
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
CID 22111004
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402
N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 35269814
1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide
CID 111471638
2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate
CID 46680385
1-(3,3-diphenylpropyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25223132
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611269
4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide
CID 79519273
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
N-(3-amino-3-phenylpropyl)oxane-4-carboxamide
CID 80506614
1-[2-(dimethylamino)-2-oxo-1-phenylethyl]-N-propylpiperidine-4-carboxamide
CID 134046466

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide (CID 70343150) is 1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide is Cc1c(C)c2c(c(C)c1N)CC(C)(C(C)N1CCC(C(=O)NCCC(c3ccccc3)c3ccccc3)CC1)O2.
What is the InChIKey of 1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide?
The InChIKey is DFEIIRFQULTXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N3O2/c1-23-24(2)33-31(25(3)32(23)36)22-35(5,40-33)26(4)38-20-17-29(18-21-38)34(39)37-19-16-30(27-12-8-6-9-13-27)28-14-10-7-11-15-28/h6-15,26,29-30H,16-22,36H2,1-5H3,(H,37,39).
What are the key properties of 1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide?
1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide has a molecular weight of 539.76 g/mol, XLogP of 6.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)ethyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 70343150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).