1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid

C17H22N2O5S — CID 119251467

IUPAC1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(SC(C)C(=O)N2CCC(O)(C(=O)O)CC2)cc1
InChIInChI=1S/C17H22N2O5S/c1-11(25-14-5-3-13(4-6-14)18-12(2)20)15(21)19-9-7-17(24,8-10-19)16(22)23/h3-6,11,24H,7-10H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyCZKXDPUGVDELLE-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.56
Rot. Bonds5

About 1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid

1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251467) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251467
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(SC(C)C(=O)N2CCC(O)(C(=O)O)CC2)cc1
InChIInChI=1S/C17H22N2O5S/c1-11(25-14-5-3-13(4-6-14)18-12(2)20)15(21)19-9-7-17(24,8-10-19)16(22)23/h3-6,11,24H,7-10H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyCZKXDPUGVDELLE-UHFFFAOYSA-N
XLogP1.56
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 27387195
N-[4-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 119562177
N-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 42974876
N-[4-[1-(3-aminopiperidin-1-yl)-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 119379764
N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 119595041
N-[4-[1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 87030237
(2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one
CID 39073895
N-[4-[1-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 55839653
N-[4-[1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide;hydrochloride
CID 120749079
4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 56878672
1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952032
2-[4-[2-(4-acetamidophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55826391

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119251467) is 1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid is CC(=O)Nc1ccc(SC(C)C(=O)N2CCC(O)(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is CZKXDPUGVDELLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-11(25-14-5-3-13(4-6-14)18-12(2)20)15(21)19-9-7-17(24,8-10-19)16(22)23/h3-6,11,24H,7-10H2,1-2H3,(H,18,20)(H,22,23).
What are the key properties of 1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 366.44 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).