2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine

C22H26N2O3 — CID 159500765

IUPAC2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine
SMILESC1CCNCC1.COc1ccc(-c2[nH]c3ccccc3c2CC(=O)O)cc1
InChIInChI=1S/C17H15NO3.C5H11N/c1-21-12-8-6-11(7-9-12)17-14(10-16(19)20)13-4-2-3-5-15(13)18-17;1-2-4-6-5-3-1/h2-9,18H,10H2,1H3,(H,19,20);6H,1-5H2
InChIKeyLZIZXJPHCBLXAR-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.23
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine

2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine (PubChem CID 159500765) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine
PubChem CID159500765
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine
SMILESC1CCNCC1.COc1ccc(-c2[nH]c3ccccc3c2CC(=O)O)cc1
InChIInChI=1S/C17H15NO3.C5H11N/c1-21-12-8-6-11(7-9-12)17-14(10-16(19)20)13-4-2-3-5-15(13)18-17;1-2-4-6-5-3-1/h2-9,18H,10H2,1H3,(H,19,20);6H,1-5H2
InChIKeyLZIZXJPHCBLXAR-UHFFFAOYSA-N
XLogP4.23
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine
CID 161400298
2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine
CID 159486441
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
2-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 5132997
2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 3916073
N-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 47088568
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083534
1-(2-phenyl-1H-indol-3-yl)propan-2-one
CID 83780172
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
CID 18275748
1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
CID 85458363
3-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanoic acid
CID 119237348
2-[2-(3-bromophenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 4037576

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine?
The IUPAC name of 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine (CID 159500765) is 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine is C1CCNCC1.COc1ccc(-c2[nH]c3ccccc3c2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine?
The InChIKey is LZIZXJPHCBLXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3.C5H11N/c1-21-12-8-6-11(7-9-12)17-14(10-16(19)20)13-4-2-3-5-15(13)18-17;1-2-4-6-5-3-1/h2-9,18H,10H2,1H3,(H,19,20);6H,1-5H2.
What are the key properties of 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine?
2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine has a molecular weight of 366.46 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine is sourced from PubChem (CID 159500765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).