1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid

C20H24N4O4 — CID 122108313

IUPAC1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N(C)CC(=O)N2CCCC(C(=O)O)C2)ccc1-n1cccn1
InChIInChI=1S/C20H24N4O4/c1-14-11-15(6-7-17(14)24-10-4-8-21-24)19(26)22(2)13-18(25)23-9-3-5-16(12-23)20(27)28/h4,6-8,10-11,16H,3,5,9,12-13H2,1-2H3,(H,27,28)
InChIKeyCAKRNFQAGLESDP-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.58
Rot. Bonds5

About 1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid

1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid (PubChem CID 122108313) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid
PubChem CID122108313
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N(C)CC(=O)N2CCCC(C(=O)O)C2)ccc1-n1cccn1
InChIInChI=1S/C20H24N4O4/c1-14-11-15(6-7-17(14)24-10-4-8-21-24)19(26)22(2)13-18(25)23-9-3-5-16(12-23)20(27)28/h4,6-8,10-11,16H,3,5,9,12-13H2,1-2H3,(H,27,28)
InChIKeyCAKRNFQAGLESDP-UHFFFAOYSA-N
XLogP1.58
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122106979
1-[2-[(4-chloro-2-methylbenzoyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689295
6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122112680
1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689288
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 122107177
(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 124576728
(3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 129466439
(3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 129468518
(3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 129470384
1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 120534157
(3S)-1-[2-[(3-methoxythiophene-2-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 129466589
1-[2-[[2-(2,4-difluorophenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120534241

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid (CID 122108313) is 1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid is Cc1cc(C(=O)N(C)CC(=O)N2CCCC(C(=O)O)C2)ccc1-n1cccn1.
What is the InChIKey of 1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid?
The InChIKey is CAKRNFQAGLESDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-14-11-15(6-7-17(14)24-10-4-8-21-24)19(26)22(2)13-18(25)23-9-3-5-16(12-23)20(27)28/h4,6-8,10-11,16H,3,5,9,12-13H2,1-2H3,(H,27,28).
What are the key properties of 1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid?
1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122108313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).