tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate

C29H32N2O4 — CID 58508424

IUPACtert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate
SMILESCC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCCCC2)cc1O
InChIInChI=1S/C29H32N2O4/c1-29(2,3)35-28(34)23-14-12-21(20-10-6-4-7-11-20)18-25(23)30-27(33)24-15-13-22(19-26(24)32)31-16-8-5-9-17-31/h4,6-7,10-15,18-19,32H,5,8-9,16-17H2,1-3H3,(H,30,33)
InChIKeyHQENHXZSYZNCRM-UHFFFAOYSA-N
MW472.59 g/mol
LogP6.26
Rot. Bonds5

About tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate

tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate (PubChem CID 58508424) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate.

Molecular Properties

Compound Nametert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate
PubChem CID58508424
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Nametert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate
SMILESCC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCCCC2)cc1O
InChIInChI=1S/C29H32N2O4/c1-29(2,3)35-28(34)23-14-12-21(20-10-6-4-7-11-20)18-25(23)30-27(33)24-15-13-22(19-26(24)32)31-16-8-5-9-17-31/h4,6-7,10-15,18-19,32H,5,8-9,16-17H2,1-3H3,(H,30,33)
InChIKeyHQENHXZSYZNCRM-UHFFFAOYSA-N
XLogP6.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate
CID 58508608
tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate
CID 58508599
tert-butyl 2-[(2-acetyloxy-5-piperidin-1-ylbenzoyl)amino]-4-bromobenzoate
CID 66990071
2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid
CID 66990742
2-[(2-butoxy-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoic acid
CID 70857388
tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate
CID 58508644
tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate
CID 58508662
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-bromopyridine-2-carbonyl)amino]-4-phenylbenzoate
CID 58508787
2-[(2-acetyloxy-5-piperidin-1-ylbenzoyl)amino]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]benzoic acid
CID 89038094
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-(methoxymethoxy)-5-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-4-phenylbenzoate
CID 66990856

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate?
The IUPAC name of tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate (CID 58508424) is tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate.
What is the SMILES notation for tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate?
The canonical SMILES for tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate is CC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCCCC2)cc1O.
What is the InChIKey of tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate?
The InChIKey is HQENHXZSYZNCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-29(2,3)35-28(34)23-14-12-21(20-10-6-4-7-11-20)18-25(23)30-27(33)24-15-13-22(19-26(24)32)31-16-8-5-9-17-31/h4,6-7,10-15,18-19,32H,5,8-9,16-17H2,1-3H3,(H,30,33).
What are the key properties of tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate?
tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate has a molecular weight of 472.59 g/mol, XLogP of 6.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate is sourced from PubChem (CID 58508424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).