2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid

C16H20N2O3 — CID 141141562

IUPAC2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid
SMILESCOc1cccc2[nH]cc(C3CCN(CC(=O)O)CC3)c12
InChIInChI=1S/C16H20N2O3/c1-21-14-4-2-3-13-16(14)12(9-17-13)11-5-7-18(8-6-11)10-15(19)20/h2-4,9,11,17H,5-8,10H2,1H3,(H,19,20)
InChIKeyKXONUCDLLFBIBG-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.44
Rot. Bonds4

About 2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid

2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid (PubChem CID 141141562) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid
PubChem CID141141562
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid
SMILESCOc1cccc2[nH]cc(C3CCN(CC(=O)O)CC3)c12
InChIInChI=1S/C16H20N2O3/c1-21-14-4-2-3-13-16(14)12(9-17-13)11-5-7-18(8-6-11)10-15(19)20/h2-4,9,11,17H,5-8,10H2,1H3,(H,19,20)
InChIKeyKXONUCDLLFBIBG-UHFFFAOYSA-N
XLogP2.44
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567
3-(1-ethylpiperidin-4-yl)-1H-indole-4-carbonitrile;oxalic acid
CID 18797394
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
ethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate
CID 71736777
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole
CID 114501337
N-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide
CID 54347283
2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid
CID 82131899
(3R,4R)-4-cyclopropyl-1-[2-(4-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120979977
2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid
CID 83162648
[2-(4-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]methanamine
CID 82384913
(E)-3-(4-methoxy-1H-indol-3-yl)but-2-enoic acid
CID 82277542

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid (CID 141141562) is 2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid is COc1cccc2[nH]cc(C3CCN(CC(=O)O)CC3)c12.
What is the InChIKey of 2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid?
The InChIKey is KXONUCDLLFBIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-14-4-2-3-13-16(14)12(9-17-13)11-5-7-18(8-6-11)10-15(19)20/h2-4,9,11,17H,5-8,10H2,1H3,(H,19,20).
What are the key properties of 2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid?
2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 141141562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).