3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid

C23H24N2O3 — CID 97190753

IUPAC3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid
SMILESCc1cccc2cc(C(=O)N3CCC[C@H](c4cccc(C(=O)O)c4)C3)n(C)c12
InChIInChI=1S/C23H24N2O3/c1-15-6-3-8-17-13-20(24(2)21(15)17)22(26)25-11-5-10-19(14-25)16-7-4-9-18(12-16)23(27)28/h3-4,6-9,12-13,19H,5,10-11,14H2,1-2H3,(H,27,28)/t19-/m0/s1
InChIKeyGSPUEGCEVAJZEC-IBGZPJMESA-N
MW376.46 g/mol
LogP4.20
Rot. Bonds3

About 3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid

3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid (PubChem CID 97190753) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid
PubChem CID97190753
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid
SMILESCc1cccc2cc(C(=O)N3CCC[C@H](c4cccc(C(=O)O)c4)C3)n(C)c12
InChIInChI=1S/C23H24N2O3/c1-15-6-3-8-17-13-20(24(2)21(15)17)22(26)25-11-5-10-19(14-25)16-7-4-9-18(12-16)23(27)28/h3-4,6-9,12-13,19H,5,10-11,14H2,1-2H3,(H,27,28)/t19-/m0/s1
InChIKeyGSPUEGCEVAJZEC-IBGZPJMESA-N
XLogP4.20
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97189430
3-[(3R)-1-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97199858
3-[1-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72923298
3-[(3S)-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]benzoic acid
CID 97210801
3-[(3S)-1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidin-3-yl]benzoic acid
CID 97210347
(1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97148687
(1,7-dimethylindol-2-yl)-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 72888830
3-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]benzoic acid
CID 97205189
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid
CID 50742353
3-[(3R)-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]benzoic acid
CID 97200974
(1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
CID 131928377
3-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97209819

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid?
The IUPAC name of 3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid (CID 97190753) is 3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid.
What is the SMILES notation for 3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid?
The canonical SMILES for 3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid is Cc1cccc2cc(C(=O)N3CCC[C@H](c4cccc(C(=O)O)c4)C3)n(C)c12.
What is the InChIKey of 3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid?
The InChIKey is GSPUEGCEVAJZEC-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15-6-3-8-17-13-20(24(2)21(15)17)22(26)25-11-5-10-19(14-25)16-7-4-9-18(12-16)23(27)28/h3-4,6-9,12-13,19H,5,10-11,14H2,1-2H3,(H,27,28)/t19-/m0/s1.
What are the key properties of 3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid?
3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid has a molecular weight of 376.46 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid is sourced from PubChem (CID 97190753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).