2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid

C15H17ClN2O2 — CID 42650356

IUPAC2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid
SMILESO=C(O)C(c1c[nH]c2ccc(Cl)cc12)N1CCCCC1
InChIInChI=1S/C15H17ClN2O2/c16-10-4-5-13-11(8-10)12(9-17-13)14(15(19)20)18-6-2-1-3-7-18/h4-5,8-9,14,17H,1-3,6-7H2,(H,19,20)
InChIKeyZVFIKDFNSPXCRM-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.43
Rot. Bonds3

About 2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid

2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid (PubChem CID 42650356) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid
PubChem CID42650356
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid
SMILESO=C(O)C(c1c[nH]c2ccc(Cl)cc12)N1CCCCC1
InChIInChI=1S/C15H17ClN2O2/c16-10-4-5-13-11(8-10)12(9-17-13)14(15(19)20)18-6-2-1-3-7-18/h4-5,8-9,14,17H,1-3,6-7H2,(H,19,20)
InChIKeyZVFIKDFNSPXCRM-UHFFFAOYSA-N
XLogP3.43
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid (CID 42650356) is 2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid is O=C(O)C(c1c[nH]c2ccc(Cl)cc12)N1CCCCC1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid?
The InChIKey is ZVFIKDFNSPXCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-10-4-5-13-11(8-10)12(9-17-13)14(15(19)20)18-6-2-1-3-7-18/h4-5,8-9,14,17H,1-3,6-7H2,(H,19,20).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid?
2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid has a molecular weight of 292.77 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid is sourced from PubChem (CID 42650356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).