2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid

C12H18N4O3 — CID 113279547

IUPAC2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid
SMILESCn1cc(C(NC(=O)N2CCCCC2)C(=O)O)cn1
InChIInChI=1S/C12H18N4O3/c1-15-8-9(7-13-15)10(11(17)18)14-12(19)16-5-3-2-4-6-16/h7-8,10H,2-6H2,1H3,(H,14,19)(H,17,18)
InChIKeyCJOCEEUXLIVAII-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.74
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid

2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid (PubChem CID 113279547) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid
PubChem CID113279547
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid
SMILESCn1cc(C(NC(=O)N2CCCCC2)C(=O)O)cn1
InChIInChI=1S/C12H18N4O3/c1-15-8-9(7-13-15)10(11(17)18)14-12(19)16-5-3-2-4-6-16/h7-8,10H,2-6H2,1H3,(H,14,19)(H,17,18)
InChIKeyCJOCEEUXLIVAII-UHFFFAOYSA-N
XLogP0.74
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289027
2-(1,4-diazepane-1-carbonylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289155
2-[(4-ethylpiperazine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289072
2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289133
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289282
2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid
CID 115289355
2-[(2-ethylmorpholine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289122
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
2-(2,3-dimethylbutanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288233
2-(1-methylpyrazol-4-yl)-2-(prop-2-enoylamino)acetic acid
CID 115287988
2-(butan-2-ylcarbamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279679
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289264

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid (CID 113279547) is 2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid is Cn1cc(C(NC(=O)N2CCCCC2)C(=O)O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid?
The InChIKey is CJOCEEUXLIVAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15-8-9(7-13-15)10(11(17)18)14-12(19)16-5-3-2-4-6-16/h7-8,10H,2-6H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid?
2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid is sourced from PubChem (CID 113279547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).