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

C19H26N2O5S — CID 45426942

IUPAC1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H26N2O5S/c1-14-5-6-16(18(22)20-11-7-15(8-12-20)19(23)24)13-17(14)27(25,26)21-9-3-2-4-10-21/h5-6,13,15H,2-4,7-12H2,1H3,(H,23,24)
InChIKeyQIUYRFKMPHIDLS-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.11
Rot. Bonds4

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

1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid (PubChem CID 45426942) 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-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid
PubChem CID45426942
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H26N2O5S/c1-14-5-6-16(18(22)20-11-7-15(8-12-20)19(23)24)13-17(14)27(25,26)21-9-3-2-4-10-21/h5-6,13,15H,2-4,7-12H2,1H3,(H,23,24)
InChIKeyQIUYRFKMPHIDLS-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-3-carboxylic acid
CID 45429250
[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
(4-ethylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2336694
(4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 17465768
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 55385020
4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2335095
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 27782534
[1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469270

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid (CID 45426942) is 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid is Cc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid?
The InChIKey is QIUYRFKMPHIDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-14-5-6-16(18(22)20-11-7-15(8-12-20)19(23)24)13-17(14)27(25,26)21-9-3-2-4-10-21/h5-6,13,15H,2-4,7-12H2,1H3,(H,23,24).
What are the key properties of 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid?
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-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-4-carboxylic acid is sourced from PubChem (CID 45426942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).