1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid

C12H21N3O5S — CID 60857580

IUPAC1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
SMILESNC(=O)C1CCCN(S(=O)(=O)N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H21N3O5S/c13-11(16)10-2-1-5-15(8-10)21(19,20)14-6-3-9(4-7-14)12(17)18/h9-10H,1-8H2,(H2,13,16)(H,17,18)
InChIKeySUUDXICHMHDYBI-UHFFFAOYSA-N
MW319.38 g/mol
LogP-0.77
Rot. Bonds4

About 1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid

1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 60857580) has the molecular formula C12H21N3O5S and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
PubChem CID60857580
Molecular FormulaC12H21N3O5S
Molecular Weight319.38 g/mol
Exact Mass319.12
IUPAC Name1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
SMILESNC(=O)C1CCCN(S(=O)(=O)N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H21N3O5S/c13-11(16)10-2-1-5-15(8-10)21(19,20)14-6-3-9(4-7-14)12(17)18/h9-10H,1-8H2,(H2,13,16)(H,17,18)
InChIKeySUUDXICHMHDYBI-UHFFFAOYSA-N
XLogP-0.77
TPSA121.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 47149029
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 47154847
(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 94806388
1-sulfamoylpiperidine-3-carboxamide
CID 43132049
1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 61403844
1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 103494329
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60858591
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
1-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 106668312
1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 62936890
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid (CID 60857580) is 1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid is NC(=O)C1CCCN(S(=O)(=O)N2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is SUUDXICHMHDYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5S/c13-11(16)10-2-1-5-15(8-10)21(19,20)14-6-3-9(4-7-14)12(17)18/h9-10H,1-8H2,(H2,13,16)(H,17,18).
What are the key properties of 1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid?
1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 319.38 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 60857580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).