1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate

C25H30N2O6 — CID 46635792

IUPAC1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C25H30N2O6/c1-25(2,3)33-24(30)27-15-13-17(14-16-27)23(29)32-19-11-9-18(10-12-19)26-22(28)20-7-5-6-8-21(20)31-4/h5-12,17H,13-16H2,1-4H3,(H,26,28)
InChIKeyGXRDTVGMJDURRO-UHFFFAOYSA-N
MW454.52 g/mol
LogP4.50
Rot. Bonds5

About 1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate (PubChem CID 46635792) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate
PubChem CID46635792
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Name1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C25H30N2O6/c1-25(2,3)33-24(30)27-15-13-17(14-16-27)23(29)32-19-11-9-18(10-12-19)26-22(28)20-7-5-6-8-21(20)31-4/h5-12,17H,13-16H2,1-4H3,(H,26,28)
InChIKeyGXRDTVGMJDURRO-UHFFFAOYSA-N
XLogP4.50
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate
CID 26699631
1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 8924245
1-O-tert-butyl 4-O-[2-(2-methoxyphenyl)-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 8924019
[4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46662282
tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate
CID 58817684
tert-butyl 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 9034002
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
tert-butyl 4-[(2-bromo-3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 172648076
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 29353501
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
tert-butyl 4-[4-[(4-fluorophenyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281184
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate (CID 46635792) is 1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate is COc1ccccc1C(=O)Nc1ccc(OC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of 1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate?
The InChIKey is GXRDTVGMJDURRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-25(2,3)33-24(30)27-15-13-17(14-16-27)23(29)32-19-11-9-18(10-12-19)26-22(28)20-7-5-6-8-21(20)31-4/h5-12,17H,13-16H2,1-4H3,(H,26,28).
What are the key properties of 1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate has a molecular weight of 454.52 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate is sourced from PubChem (CID 46635792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).