5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid

C19H20N2O4S — CID 122110854

IUPAC5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C19H20N2O4S/c22-17(20-12-15-6-7-16(26-15)19(24)25)13-8-10-21(11-9-13)18(23)14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,20,22)(H,24,25)
InChIKeyCQJFQJARHGVBEJ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.61
Rot. Bonds5

About 5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid

5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 122110854) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID122110854
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C19H20N2O4S/c22-17(20-12-15-6-7-16(26-15)19(24)25)13-8-10-21(11-9-13)18(23)14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,20,22)(H,24,25)
InChIKeyCQJFQJARHGVBEJ-UHFFFAOYSA-N
XLogP2.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 32822773
1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830387
1-benzoyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide
CID 71998614
1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 53162999
5-[(3,4-dihydro-2H-chromene-3-carbonylamino)methyl]thiophene-2-carboxylic acid
CID 122111115
1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119447778
1-benzoyl-N-(2-cyclopentyl-2-hydroxyethyl)piperidine-4-carboxamide
CID 71991151
N-benzyl-1-(3,5-dichlorobenzoyl)piperidine-4-carboxamide
CID 41305444
1-(4-chlorobenzoyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 9165314
1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 47043676
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 154800157

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid (CID 122110854) is 5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1.
What is the InChIKey of 5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is CQJFQJARHGVBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c22-17(20-12-15-6-7-16(26-15)19(24)25)13-8-10-21(11-9-13)18(23)14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,20,22)(H,24,25).
What are the key properties of 5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid?
5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 372.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 122110854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).