1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid

C21H25NO3S — CID 45433624

IUPAC1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCCCc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)sc1C
InChIInChI=1S/C21H25NO3S/c1-3-7-16-14-18(26-15(16)2)19(23)22-12-10-21(11-13-22,20(24)25)17-8-5-4-6-9-17/h4-6,8-9,14H,3,7,10-13H2,1-2H3,(H,24,25)
InChIKeySSMRIKQWZNUTAT-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.27
Rot. Bonds5

About 1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid

1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 45433624) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is 1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID45433624
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC Name1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCCCc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)sc1C
InChIInChI=1S/C21H25NO3S/c1-3-7-16-14-18(26-15(16)2)19(23)22-12-10-21(11-13-22,20(24)25)17-8-5-4-6-9-17/h4-6,8-9,14H,3,7,10-13H2,1-2H3,(H,24,25)
InChIKeySSMRIKQWZNUTAT-UHFFFAOYSA-N
XLogP4.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone
CID 39959347
6-(5-methyl-4-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175440
(3,4-dihydroxypyrrolidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 106671858
(4-methoxypiperidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 71943781
(3-hydroxyazetidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 63107136
1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145995
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63720659
2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681485
N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 9370219
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid (CID 45433624) is 1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid is CCCc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)sc1C.
What is the InChIKey of 1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is SSMRIKQWZNUTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-3-7-16-14-18(26-15(16)2)19(23)22-12-10-21(11-13-22,20(24)25)17-8-5-4-6-9-17/h4-6,8-9,14H,3,7,10-13H2,1-2H3,(H,24,25).
What are the key properties of 1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 371.50 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 45433624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).