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

C21H28N2O7 — CID 8924245

IUPAC1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H28N2O7/c1-21(2,3)30-20(27)23-11-9-14(10-12-23)19(26)29-13-17(24)22-18(25)15-7-5-6-8-16(15)28-4/h5-8,14H,9-13H2,1-4H3,(H,22,24,25)
InChIKeyQTTUMMNHGUGGDK-UHFFFAOYSA-N
MW420.46 g/mol
LogP2.14
Rot. Bonds5

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

1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate (PubChem CID 8924245) has the molecular formula C21H28N2O7 and a molecular weight of 420.46 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate
PubChem CID8924245
Molecular FormulaC21H28N2O7
Molecular Weight420.46 g/mol
Exact Mass420.19
IUPAC Name1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H28N2O7/c1-21(2,3)30-20(27)23-11-9-14(10-12-23)19(26)29-13-17(24)22-18(25)15-7-5-6-8-16(15)28-4/h5-8,14H,9-13H2,1-4H3,(H,22,24,25)
InChIKeyQTTUMMNHGUGGDK-UHFFFAOYSA-N
XLogP2.14
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate with MolForge

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Related Compounds

1-O-tert-butyl 4-O-[2-(2-methoxyphenyl)-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 8924019
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 29353501
1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate
CID 46635792
1-O-tert-butyl 4-O-[2-(tert-butylcarbamoylamino)-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 8924145
1-O-tert-butyl 4-O-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] piperidine-1,4-dicarboxylate
CID 8924669
1-O-tert-butyl 4-O-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 8923958
tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate
CID 58817684
1-O-tert-butyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] piperidine-1,4-dicarboxylate
CID 8923898
1-O-tert-butyl 4-O-[2-oxo-2-(2-phenylsulfanylanilino)ethyl] piperidine-1,4-dicarboxylate
CID 46826973
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 2500083
tert-butyl 4-[[(2-bromobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 29264674
[2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739829

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate (CID 8924245) is 1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate is COc1ccccc1C(=O)NC(=O)COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate?
The InChIKey is QTTUMMNHGUGGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O7/c1-21(2,3)30-20(27)23-11-9-14(10-12-23)19(26)29-13-17(24)22-18(25)15-7-5-6-8-16(15)28-4/h5-8,14H,9-13H2,1-4H3,(H,22,24,25).
What are the key properties of 1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate has a molecular weight of 420.46 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate is sourced from PubChem (CID 8924245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).