2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid

C16H18N4O4 — CID 126448346

IUPAC2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1[C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C16H18N4O4/c21-14(22)10-20-13(5-7-18-20)11-3-2-8-19(9-11)16(24)12-4-1-6-17-15(12)23/h1,4-7,11H,2-3,8-10H2,(H,17,23)(H,21,22)/t11-/m0/s1
InChIKeyMEVARAAJLIOHMZ-NSHDSACASA-N
MW330.34 g/mol
LogP0.68
Rot. Bonds4

About 2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid

2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 126448346) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
PubChem CID126448346
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1[C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C16H18N4O4/c21-14(22)10-20-13(5-7-18-20)11-3-2-8-19(9-11)16(24)12-4-1-6-17-15(12)23/h1,4-7,11H,2-3,8-10H2,(H,17,23)(H,21,22)/t11-/m0/s1
InChIKeyMEVARAAJLIOHMZ-NSHDSACASA-N
XLogP0.68
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(3R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126429586
2-[5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119064555
2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126454332
2-[5-[1-[3-(1H-pyrazol-4-yl)benzoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119066861
2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126432962
3-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97190806
2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126439207
2-[5-[(3S)-1-(2-indol-1-ylacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126429492
2-[5-[1-[4-(1,3-dihydroisoindol-2-yl)butanoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119071390
2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126426374
3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97284614
2-[5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119062506

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 126448346) is 2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is O=C(O)Cn1nccc1[C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of 2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The InChIKey is MEVARAAJLIOHMZ-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N4O4/c21-14(22)10-20-13(5-7-18-20)11-3-2-8-19(9-11)16(24)12-4-1-6-17-15(12)23/h1,4-7,11H,2-3,8-10H2,(H,17,23)(H,21,22)/t11-/m0/s1.
What are the key properties of 2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 330.34 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 126448346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).