2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid

C18H22N4O3 — CID 126426374

IUPAC2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)CCc2cccnc2)C1
InChIInChI=1S/C18H22N4O3/c23-17(6-5-14-3-1-8-19-11-14)21-10-2-4-15(12-21)16-7-9-20-22(16)13-18(24)25/h1,3,7-9,11,15H,2,4-6,10,12-13H2,(H,24,25)/t15-/m1/s1
InChIKeyQXYSPEHAWVFQCK-OAHLLOKOSA-N
MW342.40 g/mol
LogP1.70
Rot. Bonds6

About 2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid

2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 126426374) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
PubChem CID126426374
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)CCc2cccnc2)C1
InChIInChI=1S/C18H22N4O3/c23-17(6-5-14-3-1-8-19-11-14)21-10-2-4-15(12-21)16-7-9-20-22(16)13-18(24)25/h1,3,7-9,11,15H,2,4-6,10,12-13H2,(H,24,25)/t15-/m1/s1
InChIKeyQXYSPEHAWVFQCK-OAHLLOKOSA-N
XLogP1.70
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-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

Related Compounds

2-[5-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126424382
2-[5-[(3R)-1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126438361
2-[5-[(3S)-1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126438360
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125012670
1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one
CID 99116117
2-[5-[1-[4-(1,3-dihydroisoindol-2-yl)butanoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119071390
2-[5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119064555
3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124553959
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 81487520
2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126439207
1-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 96574284
1-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70728894

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 126426374) is 2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)CCc2cccnc2)C1.
What is the InChIKey of 2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The InChIKey is QXYSPEHAWVFQCK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(6-5-14-3-1-8-19-11-14)21-10-2-4-15(12-21)16-7-9-20-22(16)13-18(24)25/h1,3,7-9,11,15H,2,4-6,10,12-13H2,(H,24,25)/t15-/m1/s1.
What are the key properties of 2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 342.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 126426374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).