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

C19H20N4O3 — CID 119069700

IUPAC2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)n1
InChIInChI=1S/C19H20N4O3/c24-18(25)12-23-9-6-17(21-23)15-2-1-8-22(11-15)19(26)14-3-4-16-13(10-14)5-7-20-16/h3-7,9-10,15,20H,1-2,8,11-12H2,(H,24,25)
InChIKeyDOKDPOTUVWJALV-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.47
Rot. Bonds4

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

2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 119069700) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
PubChem CID119069700
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)n1
InChIInChI=1S/C19H20N4O3/c24-18(25)12-23-9-6-17(21-23)15-2-1-8-22(11-15)19(26)14-3-4-16-13(10-14)5-7-20-16/h3-7,9-10,15,20H,1-2,8,11-12H2,(H,24,25)
InChIKeyDOKDPOTUVWJALV-UHFFFAOYSA-N
XLogP2.47
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3R)-1-(3-hydroxy-4-methoxybenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126450047
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CID 119071899
2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119073577
2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126441239
2-[3-[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126440008
4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 56740506
2-[3-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126439114
2-[3-[(3R)-1-[(4-acetylphenyl)carbamoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126428978
2-[3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119072967
2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid
CID 99599206
2-[3-[1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119073369
2-[3-[1-(3-methoxypropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 119069700) is 2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(C2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)n1.
What is the InChIKey of 2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The InChIKey is DOKDPOTUVWJALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-18(25)12-23-9-6-17(21-23)15-2-1-8-22(11-15)19(26)14-3-4-16-13(10-14)5-7-20-16/h3-7,9-10,15,20H,1-2,8,11-12H2,(H,24,25).
What are the key properties of 2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 352.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119069700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).