2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid

C13H18N4O4 — CID 61018636

IUPAC2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC(=O)N1CCCC(C(=O)Nc2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C13H18N4O4/c1-9(18)16-4-2-3-10(6-16)13(21)15-11-5-14-17(7-11)8-12(19)20/h5,7,10H,2-4,6,8H2,1H3,(H,15,21)(H,19,20)
InChIKeyWLTQWSYOXCZKQE-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.16
Rot. Bonds4

About 2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 61018636) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID61018636
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC(=O)N1CCCC(C(=O)Nc2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C13H18N4O4/c1-9(18)16-4-2-3-10(6-16)13(21)15-11-5-14-17(7-11)8-12(19)20/h5,7,10H,2-4,6,8H2,1H3,(H,15,21)(H,19,20)
InChIKeyWLTQWSYOXCZKQE-UHFFFAOYSA-N
XLogP0.16
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 95749363
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 61285380
2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 61408275
2-[4-(thiane-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 80594673
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61207089
2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61019036
(3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide
CID 95899241
2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61186790
2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 107000358
2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 138002028

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 61018636) is 2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid is CC(=O)N1CCCC(C(=O)Nc2cnn(CC(=O)O)c2)C1.
What is the InChIKey of 2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is WLTQWSYOXCZKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-9(18)16-4-2-3-10(6-16)13(21)15-11-5-14-17(7-11)8-12(19)20/h5,7,10H,2-4,6,8H2,1H3,(H,15,21)(H,19,20).
What are the key properties of 2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61018636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).