2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

C14H22N4O3 — CID 115289264

IUPAC2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCC1CCN(C(=O)NC(C(=O)O)c2cnn(C)c2)C(C)C1
InChIInChI=1S/C14H22N4O3/c1-9-4-5-18(10(2)6-9)14(21)16-12(13(19)20)11-7-15-17(3)8-11/h7-10,12H,4-6H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyAZDHKAKFRWPVGZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.38
Rot. Bonds3

About 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 115289264) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID115289264
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCC1CCN(C(=O)NC(C(=O)O)c2cnn(C)c2)C(C)C1
InChIInChI=1S/C14H22N4O3/c1-9-4-5-18(10(2)6-9)14(21)16-12(13(19)20)11-7-15-17(3)8-11/h7-10,12H,4-6H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyAZDHKAKFRWPVGZ-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 115289264) is 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is CC1CCN(C(=O)NC(C(=O)O)c2cnn(C)c2)C(C)C1.
What is the InChIKey of 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is AZDHKAKFRWPVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9-4-5-18(10(2)6-9)14(21)16-12(13(19)20)11-7-15-17(3)8-11/h7-10,12H,4-6H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 115289264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).