2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid

C22H22N2O4 — CID 22399450

IUPAC2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C22H22N2O4/c25-21(26)14-28-18-6-3-5-16(12-18)15-8-10-24(11-9-15)22(27)20-13-17-4-1-2-7-19(17)23-20/h1-7,12-13,15,23H,8-11,14H2,(H,25,26)
InChIKeySEKPVZGNMSHGQU-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.65
Rot. Bonds5

About 2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid

2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid (PubChem CID 22399450) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid
PubChem CID22399450
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C22H22N2O4/c25-21(26)14-28-18-6-3-5-16(12-18)15-8-10-24(11-9-15)22(27)20-13-17-4-1-2-7-19(17)23-20/h1-7,12-13,15,23H,8-11,14H2,(H,25,26)
InChIKeySEKPVZGNMSHGQU-UHFFFAOYSA-N
XLogP3.65
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 53001326
(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581642
2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 119182165
N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 66571403
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 21036988

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid (CID 22399450) is 2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid is O=C(O)COc1cccc(C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1.
What is the InChIKey of 2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid?
The InChIKey is SEKPVZGNMSHGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-21(26)14-28-18-6-3-5-16(12-18)15-8-10-24(11-9-15)22(27)20-13-17-4-1-2-7-19(17)23-20/h1-7,12-13,15,23H,8-11,14H2,(H,25,26).
What are the key properties of 2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid?
2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid has a molecular weight of 378.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid is sourced from PubChem (CID 22399450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).