1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid

C19H26N2O5S — CID 45429250

IUPAC1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCCC(C(=O)O)C2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H26N2O5S/c1-14-7-8-15(18(22)20-9-5-6-16(13-20)19(23)24)12-17(14)27(25,26)21-10-3-2-4-11-21/h7-8,12,16H,2-6,9-11,13H2,1H3,(H,23,24)
InChIKeyDGGYYEXSCBFOTR-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.11
Rot. Bonds4

About 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid

1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid (PubChem CID 45429250) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid
PubChem CID45429250
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCCC(C(=O)O)C2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H26N2O5S/c1-14-7-8-15(18(22)20-9-5-6-16(13-20)19(23)24)12-17(14)27(25,26)21-10-3-2-4-11-21/h7-8,12,16H,2-6,9-11,13H2,1H3,(H,23,24)
InChIKeyDGGYYEXSCBFOTR-UHFFFAOYSA-N
XLogP2.11
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119353985
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 45426942
(4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 17465768
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 119563638
(4-methyl-3-piperidin-1-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1070097
(4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2390804
ethyl (3S)-1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylate
CID 42524067
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
1-(3-chloro-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 55162757
1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107727974
4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274
(4-ethylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2336694

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid (CID 45429250) is 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid is Cc1ccc(C(=O)N2CCCC(C(=O)O)C2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid?
The InChIKey is DGGYYEXSCBFOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-14-7-8-15(18(22)20-9-5-6-16(13-20)19(23)24)12-17(14)27(25,26)21-10-3-2-4-11-21/h7-8,12,16H,2-6,9-11,13H2,1H3,(H,23,24).
What are the key properties of 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid?
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid has a molecular weight of 394.49 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 45429250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).