1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C14H22N4O3 — CID 122123293

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1c(CNC(=O)N2CC(C)CC(C(=O)O)C2)cnn1C
InChIInChI=1S/C14H22N4O3/c1-9-4-11(13(19)20)8-18(7-9)14(21)15-5-12-6-16-17(3)10(12)2/h6,9,11H,4-5,7-8H2,1-3H3,(H,15,21)(H,19,20)
InChIKeySGALXGZXFNQTCE-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.98
Rot. Bonds3

About 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122123293) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122123293
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1c(CNC(=O)N2CC(C)CC(C(=O)O)C2)cnn1C
InChIInChI=1S/C14H22N4O3/c1-9-4-11(13(19)20)8-18(7-9)14(21)15-5-12-6-16-17(3)10(12)2/h6,9,11H,4-5,7-8H2,1-3H3,(H,15,21)(H,19,20)
InChIKeySGALXGZXFNQTCE-UHFFFAOYSA-N
XLogP0.98
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106037474
5-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122985
5-methyl-1-[[2-(1-methylpyrazol-4-yl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123294
1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123820
5-methyl-1-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122121950
(2R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106037747
1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121860
1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 119065208
1-[(5-bromo-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122233
1-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122341
1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123924
1-[(2,5-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122072

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122123293) is 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is Cc1c(CNC(=O)N2CC(C)CC(C(=O)O)C2)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is SGALXGZXFNQTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9-4-11(13(19)20)8-18(7-9)14(21)15-5-12-6-16-17(3)10(12)2/h6,9,11H,4-5,7-8H2,1-3H3,(H,15,21)(H,19,20).
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122123293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).