3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

C11H15N5O4 — CID 64526678

IUPAC3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESNC(=O)N1CCCC(C(=O)Nc2cc(C(=O)O)[nH]n2)C1
InChIInChI=1S/C11H15N5O4/c12-11(20)16-3-1-2-6(5-16)9(17)13-8-4-7(10(18)19)14-15-8/h4,6H,1-3,5H2,(H2,12,20)(H,18,19)(H2,13,14,15,17)
InChIKeyUUEOFLFKUMNSRP-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.16
Rot. Bonds3

About 3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64526678) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64526678
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESNC(=O)N1CCCC(C(=O)Nc2cc(C(=O)O)[nH]n2)C1
InChIInChI=1S/C11H15N5O4/c12-11(20)16-3-1-2-6(5-16)9(17)13-8-4-7(10(18)19)14-15-8/h4,6H,1-3,5H2,(H2,12,20)(H,18,19)(H2,13,14,15,17)
InChIKeyUUEOFLFKUMNSRP-UHFFFAOYSA-N
XLogP-0.16
TPSA141.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide
CID 78927822
3-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-1,3-dicarboxamide
CID 112689240
4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
CID 43170125
tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 84554290
3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide
CID 104817596
(3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide
CID 95286790
3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527275
3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523909
3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 104855741
3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171793
N-(5-ethyl-1H-pyrazol-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 71991373

Frequently Asked Questions

What is the IUPAC name of 3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64526678) is 3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is NC(=O)N1CCCC(C(=O)Nc2cc(C(=O)O)[nH]n2)C1.
What is the InChIKey of 3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is UUEOFLFKUMNSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c12-11(20)16-3-1-2-6(5-16)9(17)13-8-4-7(10(18)19)14-15-8/h4,6H,1-3,5H2,(H2,12,20)(H,18,19)(H2,13,14,15,17).
What are the key properties of 3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64526678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).