N-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide

C30H41N3O2 — CID 145225760

IUPACN-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide
SMILESCC1CC2CC(C)CC(CN3CCC(Oc4ccc(C(=O)Nc5ccccc5N)cc4)CC3)(C1)C2
InChIInChI=1S/C30H41N3O2/c1-21-15-23-16-22(2)18-30(17-21,19-23)20-33-13-11-26(12-14-33)35-25-9-7-24(8-10-25)29(34)32-28-6-4-3-5-27(28)31/h3-10,21-23,26H,11-20,31H2,1-2H3,(H,32,34)
InChIKeyLBVHWDRRBXCGQF-UHFFFAOYSA-N
MW475.68 g/mol
LogP6.22
Rot. Bonds6

About N-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide

N-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide (PubChem CID 145225760) has the molecular formula C30H41N3O2 and a molecular weight of 475.68 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide
PubChem CID145225760
Molecular FormulaC30H41N3O2
Molecular Weight475.68 g/mol
Exact Mass475.32
IUPAC NameN-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide
SMILESCC1CC2CC(C)CC(CN3CCC(Oc4ccc(C(=O)Nc5ccccc5N)cc4)CC3)(C1)C2
InChIInChI=1S/C30H41N3O2/c1-21-15-23-16-22(2)18-30(17-21,19-23)20-33-13-11-26(12-14-33)35-25-9-7-24(8-10-25)29(34)32-28-6-4-3-5-27(28)31/h3-10,21-23,26H,11-20,31H2,1-2H3,(H,32,34)
InChIKeyLBVHWDRRBXCGQF-UHFFFAOYSA-N
XLogP6.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.68
LogP ≤ 56.22
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

N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane
CID 160587911
N-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane
CID 158787902
N-(2-aminophenyl)-4-[[8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;dihydrochloride
CID 138673093
N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119421973
N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide
CID 163507029
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630
[2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid
CID 137365367
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl] carbamate
CID 69032775
N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide
CID 171354291
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide (CID 145225760) is N-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide is CC1CC2CC(C)CC(CN3CCC(Oc4ccc(C(=O)Nc5ccccc5N)cc4)CC3)(C1)C2.
What is the InChIKey of N-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide?
The InChIKey is LBVHWDRRBXCGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O2/c1-21-15-23-16-22(2)18-30(17-21,19-23)20-33-13-11-26(12-14-33)35-25-9-7-24(8-10-25)29(34)32-28-6-4-3-5-27(28)31/h3-10,21-23,26H,11-20,31H2,1-2H3,(H,32,34).
What are the key properties of N-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide?
N-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide has a molecular weight of 475.68 g/mol, XLogP of 6.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 145225760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).