1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid

C17H17NO3S — CID 45341237

IUPAC1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C17H17NO3S/c19-16(18-8-6-13(7-9-18)17(20)21)15-10-14(11-22-15)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,20,21)
InChIKeySRIPQEBCPMQNJH-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.35
Rot. Bonds3

About 1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid

1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 45341237) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID45341237
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C17H17NO3S/c19-16(18-8-6-13(7-9-18)17(20)21)15-10-14(11-22-15)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,20,21)
InChIKeySRIPQEBCPMQNJH-UHFFFAOYSA-N
XLogP3.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 68701618
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid
CID 119349827
(3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 94666110
1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid
CID 119166422
1-(4-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 27261011
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
1-(5-bromothiophene-3-carbonyl)piperidine-4-carboxylic acid
CID 43354162
piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
CID 71690080
1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid
CID 119349477
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid (CID 45341237) is 1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is SRIPQEBCPMQNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c19-16(18-8-6-13(7-9-18)17(20)21)15-10-14(11-22-15)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,20,21).
What are the key properties of 1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid?
1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 315.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 45341237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).