2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid

C22H25N3O2 — CID 140901187

IUPAC2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid
SMILESCC1CCN(c2cccc3nn(C(Cc4ccccc4)C(=O)O)cc23)CC1
InChIInChI=1S/C22H25N3O2/c1-16-10-12-24(13-11-16)20-9-5-8-19-18(20)15-25(23-19)21(22(26)27)14-17-6-3-2-4-7-17/h2-9,15-16,21H,10-14H2,1H3,(H,26,27)
InChIKeyBUUPCFPCLSBPJP-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.14
Rot. Bonds5

About 2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid

2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid (PubChem CID 140901187) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid
PubChem CID140901187
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid
SMILESCC1CCN(c2cccc3nn(C(Cc4ccccc4)C(=O)O)cc23)CC1
InChIInChI=1S/C22H25N3O2/c1-16-10-12-24(13-11-16)20-9-5-8-19-18(20)15-25(23-19)21(22(26)27)14-17-6-3-2-4-7-17/h2-9,15-16,21H,10-14H2,1H3,(H,26,27)
InChIKeyBUUPCFPCLSBPJP-UHFFFAOYSA-N
XLogP4.14
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-3-[2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]phenyl]propanamide
CID 135312560
[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine
CID 63374155
2-(4-methylpiperidin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8543566
ethyl 4-(4-methylpiperidin-1-yl)indole-1-carboxylate
CID 134122664
N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine
CID 63374156
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 134026262
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-methylpiperidin-1-yl)phthalazin-1-one
CID 46396915
benzyl (2R)-2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate
CID 7461002
N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53171948
2-(5-fluoroindazol-2-yl)-N-hydroxy-3-phenylpropanamide
CID 155883738
2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone
CID 66489703
3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid
CID 53215791

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid?
The IUPAC name of 2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid (CID 140901187) is 2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid?
The canonical SMILES for 2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid is CC1CCN(c2cccc3nn(C(Cc4ccccc4)C(=O)O)cc23)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid?
The InChIKey is BUUPCFPCLSBPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-10-12-24(13-11-16)20-9-5-8-19-18(20)15-25(23-19)21(22(26)27)14-17-6-3-2-4-7-17/h2-9,15-16,21H,10-14H2,1H3,(H,26,27).
What are the key properties of 2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid?
2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid has a molecular weight of 363.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidin-1-yl)indazol-2-yl]-3-phenylpropanoic acid is sourced from PubChem (CID 140901187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).