2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine

C25H26N2O2 — CID 159486441

IUPAC2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine
SMILESC1CCNCC1.O=C(O)Cc1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C20H15NO2.C5H11N/c22-19(23)12-17-16-7-3-4-8-18(16)21-20(17)15-10-9-13-5-1-2-6-14(13)11-15;1-2-4-6-5-3-1/h1-11,21H,12H2,(H,22,23);6H,1-5H2
InChIKeyLXQKBIZWSUTYPT-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.38
Rot. Bonds3

About 2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine

2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine (PubChem CID 159486441) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine.

Molecular Properties

Compound Name2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine
PubChem CID159486441
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine
SMILESC1CCNCC1.O=C(O)Cc1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C20H15NO2.C5H11N/c22-19(23)12-17-16-7-3-4-8-18(16)21-20(17)15-10-9-13-5-1-2-6-14(13)11-15;1-2-4-6-5-3-1/h1-11,21H,12H2,(H,22,23);6H,1-5H2
InChIKeyLXQKBIZWSUTYPT-UHFFFAOYSA-N
XLogP5.38
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine?
The IUPAC name of 2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine (CID 159486441) is 2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine.
What is the SMILES notation for 2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine?
The canonical SMILES for 2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine is C1CCNCC1.O=C(O)Cc1c(-c2ccc3ccccc3c2)[nH]c2ccccc12.
What is the InChIKey of 2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine?
The InChIKey is LXQKBIZWSUTYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2.C5H11N/c22-19(23)12-17-16-7-3-4-8-18(16)21-20(17)15-10-9-13-5-1-2-6-14(13)11-15;1-2-4-6-5-3-1/h1-11,21H,12H2,(H,22,23);6H,1-5H2.
What are the key properties of 2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine?
2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine has a molecular weight of 386.50 g/mol, XLogP of 5.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine is sourced from PubChem (CID 159486441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).