ethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate

C19H26N2O2 — CID 175702298

IUPACethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate
SMILESCCOC(=O)n1cc(C(C)C)c2cc(C3CCNCC3)ccc21
InChIInChI=1S/C19H26N2O2/c1-4-23-19(22)21-12-17(13(2)3)16-11-15(5-6-18(16)21)14-7-9-20-10-8-14/h5-6,11-14,20H,4,7-10H2,1-3H3
InChIKeyXFLWHULXXYQSJJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.24
Rot. Bonds3

About ethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate

ethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate (PubChem CID 175702298) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is ethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate
PubChem CID175702298
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nameethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate
SMILESCCOC(=O)n1cc(C(C)C)c2cc(C3CCNCC3)ccc21
InChIInChI=1S/C19H26N2O2/c1-4-23-19(22)21-12-17(13(2)3)16-11-15(5-6-18(16)21)14-7-9-20-10-8-14/h5-6,11-14,20H,4,7-10H2,1-3H3
InChIKeyXFLWHULXXYQSJJ-UHFFFAOYSA-N
XLogP4.24
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate?
The IUPAC name of ethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate (CID 175702298) is ethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate.
What is the SMILES notation for ethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate?
The canonical SMILES for ethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate is CCOC(=O)n1cc(C(C)C)c2cc(C3CCNCC3)ccc21.
What is the InChIKey of ethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate?
The InChIKey is XFLWHULXXYQSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-23-19(22)21-12-17(13(2)3)16-11-15(5-6-18(16)21)14-7-9-20-10-8-14/h5-6,11-14,20H,4,7-10H2,1-3H3.
What are the key properties of ethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate?
ethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-piperidin-4-yl-3-propan-2-ylindole-1-carboxylate is sourced from PubChem (CID 175702298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).