5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid

C19H28N2O3S — CID 67208735

IUPAC5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid
SMILESCC(C)(C)c1cc(N2C(=O)CNCC2C2CCCCC2)c(C(=O)O)s1
InChIInChI=1S/C19H28N2O3S/c1-19(2,3)15-9-13(17(25-15)18(23)24)21-14(10-20-11-16(21)22)12-7-5-4-6-8-12/h9,12,14,20H,4-8,10-11H2,1-3H3,(H,23,24)
InChIKeyOIUWLKDGMHJZPF-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.63
Rot. Bonds3

About 5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid

5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid (PubChem CID 67208735) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid
PubChem CID67208735
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid
SMILESCC(C)(C)c1cc(N2C(=O)CNCC2C2CCCCC2)c(C(=O)O)s1
InChIInChI=1S/C19H28N2O3S/c1-19(2,3)15-9-13(17(25-15)18(23)24)21-14(10-20-11-16(21)22)12-7-5-4-6-8-12/h9,12,14,20H,4-8,10-11H2,1-3H3,(H,23,24)
InChIKeyOIUWLKDGMHJZPF-UHFFFAOYSA-N
XLogP3.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-tert-butylphenyl)-3-(2-cyclohexyl-6-oxopiperidin-1-yl)thiophene-2-carboxylic acid
CID 67208630
3-[(2S)-2-cyclohexyl-6-oxopiperidin-1-yl]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;methyl 3-[(2S)-2-cyclohexyl-6-oxopiperidin-1-yl]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylate
CID 157362440
3-(2-cyclohexyl-6-oxopiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 67208718
3-[6-cyclohexyl-3-(3-methylbut-1-ynyl)-2-oxopiperidin-1-yl]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid
CID 123824278
3-(2-cyclohexyl-6-oxopiperidin-1-yl)-5-(4-ethoxyphenyl)thiophene-2-carboxylic acid
CID 67208717
5-(4-chlorophenyl)-3-[(3R)-3-cyclohexyl-5-oxomorpholin-4-yl]thiophene-2-carboxylic acid
CID 56645611
3-[(3S)-3-azido-6-cyclohexyl-2-oxopiperidin-1-yl]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid
CID 150476811
3-(2-cyclohexyl-4-cyclopentylsulfanyl-6-oxopiperazin-1-yl)-5-phenylthiophene-2-carboxylic acid
CID 87310425
3-[2-cyclohexyl-4-(2-fluorophenyl)sulfonyl-6-oxopiperazin-1-yl]-5-phenylthiophene-2-carboxylic acid
CID 66684717
3-[2-cyclohexyl-6-oxo-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperazin-1-yl]-5-(4-methylphenyl)thiophene-2-carboxylic acid
CID 77241229
3-[2-cyclohexyl-6-oxo-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazin-1-yl]-5-phenylthiophene-2-carboxylic acid
CID 118292168
3-[(2R)-5-cyclohexyl-2-[(2-methoxyethylamino)methyl]-3-oxomorpholin-4-yl]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid
CID 56645811

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid (CID 67208735) is 5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid is CC(C)(C)c1cc(N2C(=O)CNCC2C2CCCCC2)c(C(=O)O)s1.
What is the InChIKey of 5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid?
The InChIKey is OIUWLKDGMHJZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-19(2,3)15-9-13(17(25-15)18(23)24)21-14(10-20-11-16(21)22)12-7-5-4-6-8-12/h9,12,14,20H,4-8,10-11H2,1-3H3,(H,23,24).
What are the key properties of 5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid?
5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid has a molecular weight of 364.51 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(2-cyclohexyl-6-oxopiperazin-1-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 67208735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).