tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate

C30H34N2O4 — CID 58508608

IUPACtert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate
SMILESCc1ccc(N2CCC(O)CC2)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)OC(C)(C)C
InChIInChI=1S/C30H34N2O4/c1-20-10-12-23(32-16-14-24(33)15-17-32)19-26(20)28(34)31-27-18-22(21-8-6-5-7-9-21)11-13-25(27)29(35)36-30(2,3)4/h5-13,18-19,24,33H,14-17H2,1-4H3,(H,31,34)
InChIKeyITRIUAYETLUVNO-UHFFFAOYSA-N
MW486.61 g/mol
LogP5.83
Rot. Bonds5

About tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate

tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate (PubChem CID 58508608) has the molecular formula C30H34N2O4 and a molecular weight of 486.61 g/mol. Its IUPAC name is tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate.

Molecular Properties

Compound Nametert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate
PubChem CID58508608
Molecular FormulaC30H34N2O4
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC Nametert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate
SMILESCc1ccc(N2CCC(O)CC2)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)OC(C)(C)C
InChIInChI=1S/C30H34N2O4/c1-20-10-12-23(32-16-14-24(33)15-17-32)19-26(20)28(34)31-27-18-22(21-8-6-5-7-9-21)11-13-25(27)29(35)36-30(2,3)4/h5-13,18-19,24,33H,14-17H2,1-4H3,(H,31,34)
InChIKeyITRIUAYETLUVNO-UHFFFAOYSA-N
XLogP5.83
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate
CID 58508424
tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate
CID 58508662
tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate
CID 58508599
tert-butyl 2-amino-4-phenylbenzoate;tert-butyl 2-[(2-hydroxy-5-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoate;tert-butyl 2-[(2-methyl-5-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoate;2-[(2-hydroxy-5-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid
CID 159182019
tert-butyl 2-[(4-chloropyridine-2-carbonyl)amino]-4-phenylbenzoate;tert-butyl 4-phenyl-2-[(4-phenylpyridine-2-carbonyl)amino]benzoate;4-phenyl-2-[(4-phenylpyridine-2-carbonyl)amino]benzoic acid
CID 160517661
tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate
CID 58508644
tert-butyl 2-[(5-bromopyridine-2-carbonyl)amino]-4-phenylbenzoate
CID 58508787
tert-butyl 4-[2-[4-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylphenyl]carbamoyl]phenyl]ethyl]piperazine-1-carboxylate
CID 58508746
tert-butyl 2-[[5-(bromomethoxy)-2-phenylmethoxybenzoyl]amino]-4-phenylbenzoate
CID 142764678
tert-butyl 2-[(2-acetyloxy-5-piperidin-1-ylbenzoyl)amino]-4-bromobenzoate
CID 66990071
tert-butyl 2-[[2-(methoxymethoxy)-5-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-4-phenylbenzoate
CID 66990856
2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid
CID 66990742

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate?
The IUPAC name of tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate (CID 58508608) is tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate.
What is the SMILES notation for tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate?
The canonical SMILES for tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate is Cc1ccc(N2CCC(O)CC2)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate?
The InChIKey is ITRIUAYETLUVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O4/c1-20-10-12-23(32-16-14-24(33)15-17-32)19-26(20)28(34)31-27-18-22(21-8-6-5-7-9-21)11-13-25(27)29(35)36-30(2,3)4/h5-13,18-19,24,33H,14-17H2,1-4H3,(H,31,34).
What are the key properties of tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate?
tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate has a molecular weight of 486.61 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate is sourced from PubChem (CID 58508608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).