[2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate

C20H28N2O4 — CID 7739854

IUPAC[2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
SMILESCc1ccccc1C(=O)N1CCC(C(=O)OCC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C20H28N2O4/c1-14-7-5-6-8-16(14)18(24)22-11-9-15(10-12-22)19(25)26-13-17(23)21-20(2,3)4/h5-8,15H,9-13H2,1-4H3,(H,21,23)
InChIKeyZVXSMFDMCGTXMP-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.31
Rot. Bonds4

About [2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate

[2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate (PubChem CID 7739854) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
PubChem CID7739854
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
SMILESCc1ccccc1C(=O)N1CCC(C(=O)OCC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C20H28N2O4/c1-14-7-5-6-8-16(14)18(24)22-11-9-15(10-12-22)19(25)26-13-17(23)21-20(2,3)4/h5-8,15H,9-13H2,1-4H3,(H,21,23)
InChIKeyZVXSMFDMCGTXMP-UHFFFAOYSA-N
XLogP2.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739967
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739818
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739805
[2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739829
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739976
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739812
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739823
ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307
[2-(tert-butylamino)-2-oxoethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 46791174
methyl 1-(2-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 60682146
[2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489138
(2-bromophenyl) 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 2563951

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate (CID 7739854) is [2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate is Cc1ccccc1C(=O)N1CCC(C(=O)OCC(=O)NC(C)(C)C)CC1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
The InChIKey is ZVXSMFDMCGTXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-14-7-5-6-8-16(14)18(24)22-11-9-15(10-12-22)19(25)26-13-17(23)21-20(2,3)4/h5-8,15H,9-13H2,1-4H3,(H,21,23).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
[2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate has a molecular weight of 360.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7739854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).