2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid

C17H23N3O2 — CID 167919240

IUPAC2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCN(Cc2cccc3cn[nH]c23)CC1
InChIInChI=1S/C17H23N3O2/c1-17(2,16(21)22)14-6-8-20(9-7-14)11-13-5-3-4-12-10-18-19-15(12)13/h3-5,10,14H,6-9,11H2,1-2H3,(H,18,19)(H,21,22)
InChIKeyDNAPOISIZFHFSY-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.89
Rot. Bonds4

About 2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid

2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid (PubChem CID 167919240) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid
PubChem CID167919240
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCN(Cc2cccc3cn[nH]c23)CC1
InChIInChI=1S/C17H23N3O2/c1-17(2,16(21)22)14-6-8-20(9-7-14)11-13-5-3-4-12-10-18-19-15(12)13/h3-5,10,14H,6-9,11H2,1-2H3,(H,18,19)(H,21,22)
InChIKeyDNAPOISIZFHFSY-UHFFFAOYSA-N
XLogP2.89
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole
CID 120968620
[(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 97332173
(4S)-1-(1H-indazol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 129344375
N-(1H-indazol-7-ylmethyl)cyclopropanamine
CID 115678445
1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488606
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-7-carboxamide
CID 71879940
N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine
CID 96741733
1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid
CID 162334687
6-[(4-tert-butylazepan-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904201
1H-indazol-7-ylmethyl 2-methylbutanoate
CID 56807063
2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 114489126
1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 53212723

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid (CID 167919240) is 2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)C1CCN(Cc2cccc3cn[nH]c23)CC1.
What is the InChIKey of 2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid?
The InChIKey is DNAPOISIZFHFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,16(21)22)14-6-8-20(9-7-14)11-13-5-3-4-12-10-18-19-15(12)13/h3-5,10,14H,6-9,11H2,1-2H3,(H,18,19)(H,21,22).
What are the key properties of 2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid?
2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid has a molecular weight of 301.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid is sourced from PubChem (CID 167919240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).