5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid

C15H23N5O5S — CID 71794413

IUPAC5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESNC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2[nH]ncc2C(=O)O)CC1
InChIInChI=1S/C15H23N5O5S/c16-14(23)15(19-6-2-1-3-7-19)4-8-20(9-5-15)26(24,25)12-11(13(21)22)10-17-18-12/h10H,1-9H2,(H2,16,23)(H,17,18)(H,21,22)
InChIKeyGNONFQDQUXXSQQ-UHFFFAOYSA-N
MW385.45 g/mol
LogP-0.40
Rot. Bonds5

About 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid

5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid (PubChem CID 71794413) has the molecular formula C15H23N5O5S and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
PubChem CID71794413
Molecular FormulaC15H23N5O5S
Molecular Weight385.45 g/mol
Exact Mass385.14
IUPAC Name5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESNC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2[nH]ncc2C(=O)O)CC1
InChIInChI=1S/C15H23N5O5S/c16-14(23)15(19-6-2-1-3-7-19)4-8-20(9-5-15)26(24,25)12-11(13(21)22)10-17-18-12/h10H,1-9H2,(H2,16,23)(H,17,18)(H,21,22)
InChIKeyGNONFQDQUXXSQQ-UHFFFAOYSA-N
XLogP-0.40
TPSA149.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-1H-pyrazole-4-carboxylic acid
CID 63158855
5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 61402961
1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide
CID 126459153
5-(1,4-oxazepan-4-ylsulfonyl)-1H-pyrazole-4-carboxylic acid
CID 62988685
1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 46966762
5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 54934357
5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-1H-pyrazole-4-carboxylic acid
CID 114408294
5-[(5-oxo-1,4-diazepan-1-yl)sulfonyl]-1H-pyrazole-4-carboxylic acid
CID 63002352
1-piperidin-1-ylcyclobutane-1-carboxamide
CID 175176421
5-(4-methyl-3-oxopiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 64680693
5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 60951312
5-[(2-oxo-2-piperidin-1-ylethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 115596223

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid (CID 71794413) is 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid is NC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2[nH]ncc2C(=O)O)CC1.
What is the InChIKey of 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is GNONFQDQUXXSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O5S/c16-14(23)15(19-6-2-1-3-7-19)4-8-20(9-5-15)26(24,25)12-11(13(21)22)10-17-18-12/h10H,1-9H2,(H2,16,23)(H,17,18)(H,21,22).
What are the key properties of 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 385.45 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 71794413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).