tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate

C21H31N3O4 — CID 24512754

IUPACtert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
SMILESCCc1ccccc1NC(=O)CNC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C21H31N3O4/c1-5-15-9-6-7-11-17(15)23-18(25)13-22-19(26)16-10-8-12-24(14-16)20(27)28-21(2,3)4/h6-7,9,11,16H,5,8,10,12-14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyUIHAVLMVGPHQPM-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.95
Rot. Bonds5

About tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 24512754) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
PubChem CID24512754
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Nametert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
SMILESCCc1ccccc1NC(=O)CNC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C21H31N3O4/c1-5-15-9-6-7-11-17(15)23-18(25)13-22-19(26)16-10-8-12-24(14-16)20(27)28-21(2,3)4/h6-7,9,11,16H,5,8,10,12-14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyUIHAVLMVGPHQPM-UHFFFAOYSA-N
XLogP2.95
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 31263103
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066089
tert-butyl 3-(pyridin-4-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51253317
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate
CID 43176190
tert-butyl N-[2-[2-(cyclopentanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917443
tert-butyl 4-[[2-(2-ethylanilino)-2-oxoethyl]-methylcarbamoyl]piperidine-1-carboxylate
CID 9378593
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
methyl (3S)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294336
methyl (3R)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294338
tert-butyl 3-[(2-hydroxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84555372

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate (CID 24512754) is tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate is CCc1ccccc1NC(=O)CNC(=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is UIHAVLMVGPHQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-5-15-9-6-7-11-17(15)23-18(25)13-22-19(26)16-10-8-12-24(14-16)20(27)28-21(2,3)4/h6-7,9,11,16H,5,8,10,12-14H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 389.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 24512754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).