4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid

C19H21NO3S — CID 75413680

IUPAC4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid
SMILESO=C(CCc1ccsc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C19H21NO3S/c21-17(7-6-15-8-13-24-14-15)20-11-9-19(10-12-20,18(22)23)16-4-2-1-3-5-16/h1-5,8,13-14H,6-7,9-12H2,(H,22,23)
InChIKeyDVZGPMUSEVTXND-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.33
Rot. Bonds5

About 4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid

4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid (PubChem CID 75413680) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid
PubChem CID75413680
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid
SMILESO=C(CCc1ccsc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C19H21NO3S/c21-17(7-6-15-8-13-24-14-15)20-11-9-19(10-12-20,18(22)23)16-4-2-1-3-5-16/h1-5,8,13-14H,6-7,9-12H2,(H,22,23)
InChIKeyDVZGPMUSEVTXND-UHFFFAOYSA-N
XLogP3.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-1-(thiophene-2-sulfonyl)piperidine-4-carboxylic acid
CID 2564272
Ethyl 4-phenyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate
CID 172433487
4-Phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 9535495
1-[4-(2-Fluorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 1446504
{1-(3-Thienylacetyl)-4-[2-(trifluoromethyl)benzyl]-4-piperidinyl}methanol
CID 25381639
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 75431250
1-Acetyl-4-[2-(4-fluorophenylthio)phenyl]piperidine-4-carboxylic acid
CID 20343984
1-Methyl-4-[3-[2-(trifluoromethyl)phenyl]thiophen-2-yl]piperidine-4-carboxylic acid
CID 20343986
4-[3-(4-Fluorophenyl)thiophen-2-yl]-1-methylpiperidine-4-carboxylic acid
CID 20344033
1-Acetyl-4-(2-phenylthiophen-3-yl)piperidine-4-carbonyl fluoride
CID 88785743
{1-[4-(2-Thienyl)butanoyl]-4-[2-(trifluoromethyl)benzyl]-4-piperidinyl}methanol
CID 28133562
1-[3-(4-Fluorophenyl)sulfanylpropanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 45433583

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid (CID 75413680) is 4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid is O=C(CCc1ccsc1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid?
The InChIKey is DVZGPMUSEVTXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c21-17(7-6-15-8-13-24-14-15)20-11-9-19(10-12-20,18(22)23)16-4-2-1-3-5-16/h1-5,8,13-14H,6-7,9-12H2,(H,22,23).
What are the key properties of 4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid?
4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid has a molecular weight of 343.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(3-thiophen-3-ylpropanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 75413680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).