2-piperidin-1-ylethyl 1H-indole-3-carboxylate

C16H20N2O2 — CID 3272300

IUPAC2-piperidin-1-ylethyl 1H-indole-3-carboxylate
SMILESO=C(OCCN1CCCCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O2/c19-16(20-11-10-18-8-4-1-5-9-18)14-12-17-15-7-3-2-6-13(14)15/h2-3,6-7,12,17H,1,4-5,8-11H2
InChIKeyYGKPIROTKVQCCU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.81
Rot. Bonds4

About 2-piperidin-1-ylethyl 1H-indole-3-carboxylate

2-piperidin-1-ylethyl 1H-indole-3-carboxylate (PubChem CID 3272300) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 1H-indole-3-carboxylate
PubChem CID3272300
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-piperidin-1-ylethyl 1H-indole-3-carboxylate
SMILESO=C(OCCN1CCCCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O2/c19-16(20-11-10-18-8-4-1-5-9-18)14-12-17-15-7-3-2-6-13(14)15/h2-3,6-7,12,17H,1,4-5,8-11H2
InChIKeyYGKPIROTKVQCCU-UHFFFAOYSA-N
XLogP2.81
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 1H-indole-3-carboxylate?
The IUPAC name of 2-piperidin-1-ylethyl 1H-indole-3-carboxylate (CID 3272300) is 2-piperidin-1-ylethyl 1H-indole-3-carboxylate.
What is the SMILES notation for 2-piperidin-1-ylethyl 1H-indole-3-carboxylate?
The canonical SMILES for 2-piperidin-1-ylethyl 1H-indole-3-carboxylate is O=C(OCCN1CCCCC1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-piperidin-1-ylethyl 1H-indole-3-carboxylate?
The InChIKey is YGKPIROTKVQCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(20-11-10-18-8-4-1-5-9-18)14-12-17-15-7-3-2-6-13(14)15/h2-3,6-7,12,17H,1,4-5,8-11H2.
What are the key properties of 2-piperidin-1-ylethyl 1H-indole-3-carboxylate?
2-piperidin-1-ylethyl 1H-indole-3-carboxylate has a molecular weight of 272.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 1H-indole-3-carboxylate is sourced from PubChem (CID 3272300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).