[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate

C23H34N2O5 — CID 7891375

IUPAC[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate
SMILESCC(C)(C)c1cc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H34N2O5/c1-22(2,3)16-11-15(12-17(19(16)27)23(4,5)6)21(29)30-13-18(26)25-9-7-14(8-10-25)20(24)28/h11-12,14,27H,7-10,13H2,1-6H3,(H2,24,28)
InChIKeyZFBXJGOVBSUDMJ-UHFFFAOYSA-N
MW418.53 g/mol
LogP2.87
Rot. Bonds4

About [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate (PubChem CID 7891375) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate
PubChem CID7891375
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate
SMILESCC(C)(C)c1cc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H34N2O5/c1-22(2,3)16-11-15(12-17(19(16)27)23(4,5)6)21(29)30-13-18(26)25-9-7-14(8-10-25)20(24)28/h11-12,14,27H,7-10,13H2,1-6H3,(H2,24,28)
InChIKeyZFBXJGOVBSUDMJ-UHFFFAOYSA-N
XLogP2.87
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 8012097
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 9473230
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 7619914
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 8861804
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate
CID 7838121
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 3,5-dimethylbenzoate
CID 9229141
1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide
CID 110769588
6-(3,5-ditert-butyl-4-hydroxybenzoyl)oxyhexyl 3,5-ditert-butyl-4-hydroxybenzoate
CID 15333522
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 9477620
[2-(4-methylpiperazin-1-yl)-2-oxoethyl] 3,5-diaminobenzoate
CID 61323119
1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
CID 64683539
1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide
CID 82109099

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate?
The IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate (CID 7891375) is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate.
What is the SMILES notation for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate?
The canonical SMILES for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate is CC(C)(C)c1cc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)cc(C(C)(C)C)c1O.
What is the InChIKey of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate?
The InChIKey is ZFBXJGOVBSUDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-22(2,3)16-11-15(12-17(19(16)27)23(4,5)6)21(29)30-13-18(26)25-9-7-14(8-10-25)20(24)28/h11-12,14,27H,7-10,13H2,1-6H3,(H2,24,28).
What are the key properties of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate?
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate has a molecular weight of 418.53 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate is sourced from PubChem (CID 7891375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).