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

C34H43N3O2 — CID 22111004

IUPAC1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CN1CCC(C(=O)NCCC(c3ccccc3)c3ccccc3)CC1)O2
InChIInChI=1S/C34H43N3O2/c1-23-24(2)32-30(25(3)31(23)35)21-34(4,39-32)22-37-19-16-28(17-20-37)33(38)36-18-15-29(26-11-7-5-8-12-26)27-13-9-6-10-14-27/h5-14,28-29H,15-22,35H2,1-4H3,(H,36,38)
InChIKeySLQZVKYEENFHHM-UHFFFAOYSA-N
MW525.74 g/mol
LogP5.94
Rot. Bonds8

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

1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide (PubChem CID 22111004) has the molecular formula C34H43N3O2 and a molecular weight of 525.74 g/mol. Its IUPAC name is 1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
PubChem CID22111004
Molecular FormulaC34H43N3O2
Molecular Weight525.74 g/mol
Exact Mass525.34
IUPAC Name1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CN1CCC(C(=O)NCCC(c3ccccc3)c3ccccc3)CC1)O2
InChIInChI=1S/C34H43N3O2/c1-23-24(2)32-30(25(3)31(23)35)21-34(4,39-32)22-37-19-16-28(17-20-37)33(38)36-18-15-29(26-11-7-5-8-12-26)27-13-9-6-10-14-27/h5-14,28-29H,15-22,35H2,1-4H3,(H,36,38)
InChIKeySLQZVKYEENFHHM-UHFFFAOYSA-N
XLogP5.94
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.74
LogP ≤ 55.94
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

CID 9863888
CID 9863888
CID 10425530
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CID 10661648
CID 10661648
CID 10758352
CID 10758352
CID 10784222
CID 10784222
CID 10813650
CID 10813650
CID 131801068
CID 131801068
CID 9799187
CID 9799187
CID 10785018
CID 10785018
CID 9803118
CID 9803118
CID 9891604
CID 9891604
CID 10184693
CID 10184693

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide (CID 22111004) is 1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide is Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCC(C(=O)NCCC(c3ccccc3)c3ccccc3)CC1)O2.
What is the InChIKey of 1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide?
The InChIKey is SLQZVKYEENFHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3O2/c1-23-24(2)32-30(25(3)31(23)35)21-34(4,39-32)22-37-19-16-28(17-20-37)33(38)36-18-15-29(26-11-7-5-8-12-26)27-13-9-6-10-14-27/h5-14,28-29H,15-22,35H2,1-4H3,(H,36,38).
What are the key properties of 1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide?
1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide has a molecular weight of 525.74 g/mol, XLogP of 5.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 22111004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).