1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C16H26N4O4 — CID 122123357

IUPAC1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCc1nn(C)c(OC)c1CNC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C16H26N4O4/c1-5-13-12(14(24-4)19(3)18-13)7-17-16(23)20-8-10(2)6-11(9-20)15(21)22/h10-11H,5-9H2,1-4H3,(H,17,23)(H,21,22)
InChIKeyYZMLABOVLSGDMV-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.24
Rot. Bonds5

About 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122123357) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122123357
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCc1nn(C)c(OC)c1CNC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C16H26N4O4/c1-5-13-12(14(24-4)19(3)18-13)7-17-16(23)20-8-10(2)6-11(9-20)15(21)22/h10-11H,5-9H2,1-4H3,(H,17,23)(H,21,22)
InChIKeyYZMLABOVLSGDMV-UHFFFAOYSA-N
XLogP1.24
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122985
5-methyl-1-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122121950
1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123293
1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121860
1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102415
1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123820
1-[(2,5-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122072
1-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122341
1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101857
5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102727
5-methyl-1-[[4-(methylsulfinylmethyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123831
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121990

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122123357) is 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is CCc1nn(C)c(OC)c1CNC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is YZMLABOVLSGDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-5-13-12(14(24-4)19(3)18-13)7-17-16(23)20-8-10(2)6-11(9-20)15(21)22/h10-11H,5-9H2,1-4H3,(H,17,23)(H,21,22).
What are the key properties of 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122123357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).