[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate

C24H30N2O4S — CID 55555852

IUPAC[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C24H30N2O4S/c1-24(2,3)26(15-18-9-5-4-6-10-18)21(27)17-30-23(29)19-11-7-13-25(16-19)22(28)20-12-8-14-31-20/h4-6,8-10,12,14,19H,7,11,13,15-17H2,1-3H3
InChIKeyQQNYUUQNZHROFO-UHFFFAOYSA-N
MW442.58 g/mol
LogP3.97
Rot. Bonds6

About [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate

[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate (PubChem CID 55555852) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
PubChem CID55555852
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C24H30N2O4S/c1-24(2,3)26(15-18-9-5-4-6-10-18)21(27)17-30-23(29)19-11-7-13-25(16-19)22(28)20-12-8-14-31-20/h4-6,8-10,12,14,19H,7,11,13,15-17H2,1-3H3
InChIKeyQQNYUUQNZHROFO-UHFFFAOYSA-N
XLogP3.97
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate with MolForge

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Related Compounds

N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947669
ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 90510988
[2-(cyclooctylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55556918
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55555855
N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053389
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
N-cyclopentyl-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134061108
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209
ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate
CID 110698415
N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55643259
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426204
(4-pyrazol-1-ylphenyl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55556702

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate (CID 55555852) is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate is CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is QQNYUUQNZHROFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-24(2,3)26(15-18-9-5-4-6-10-18)21(27)17-30-23(29)19-11-7-13-25(16-19)22(28)20-12-8-14-31-20/h4-6,8-10,12,14,19H,7,11,13,15-17H2,1-3H3.
What are the key properties of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 442.58 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 55555852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).