2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid

C15H20N2O6S — CID 146024578

IUPAC2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid
SMILESCOc1ccc(S(=O)(=O)N2CCC(CC(=O)O)CC2)cc1C(N)=O
InChIInChI=1S/C15H20N2O6S/c1-23-13-3-2-11(9-12(13)15(16)20)24(21,22)17-6-4-10(5-7-17)8-14(18)19/h2-3,9-10H,4-8H2,1H3,(H2,16,20)(H,18,19)
InChIKeyTVVWJTQYFIMWJH-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.67
Rot. Bonds6

About 2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid

2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid (PubChem CID 146024578) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid
PubChem CID146024578
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid
SMILESCOc1ccc(S(=O)(=O)N2CCC(CC(=O)O)CC2)cc1C(N)=O
InChIInChI=1S/C15H20N2O6S/c1-23-13-3-2-11(9-12(13)15(16)20)24(21,22)17-6-4-10(5-7-17)8-14(18)19/h2-3,9-10H,4-8H2,1H3,(H2,16,20)(H,18,19)
InChIKeyTVVWJTQYFIMWJH-UHFFFAOYSA-N
XLogP0.67
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide
CID 146024604
5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
CID 119983942
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2-methoxybenzamide;hydrochloride
CID 119989115
2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 146024506
methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate
CID 146024645
2-methoxy-5-(3-methoxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 103531339
1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide
CID 28591148
5-(azepan-1-ylsulfonyl)-2-ethoxybenzamide
CID 171134249
5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
CID 122350947
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid (CID 146024578) is 2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid is COc1ccc(S(=O)(=O)N2CCC(CC(=O)O)CC2)cc1C(N)=O.
What is the InChIKey of 2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid?
The InChIKey is TVVWJTQYFIMWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-23-13-3-2-11(9-12(13)15(16)20)24(21,22)17-6-4-10(5-7-17)8-14(18)19/h2-3,9-10H,4-8H2,1H3,(H2,16,20)(H,18,19).
What are the key properties of 2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid?
2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid has a molecular weight of 356.40 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid is sourced from PubChem (CID 146024578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).