5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide

C17H23N3O2 — CID 2742916

IUPAC5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCN3CCCCC3)cc2c1
InChIInChI=1S/C17H23N3O2/c1-22-14-5-6-15-13(11-14)12-16(19-15)17(21)18-7-10-20-8-3-2-4-9-20/h5-6,11-12,19H,2-4,7-10H2,1H3,(H,18,21)
InChIKeyPZNPLXPJIYDQTM-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.39
Rot. Bonds5

About 5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide

5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide (PubChem CID 2742916) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
PubChem CID2742916
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCN3CCCCC3)cc2c1
InChIInChI=1S/C17H23N3O2/c1-22-14-5-6-15-13(11-14)12-16(19-15)17(21)18-7-10-20-8-3-2-4-9-20/h5-6,11-12,19H,2-4,7-10H2,1H3,(H,18,21)
InChIKeyPZNPLXPJIYDQTM-UHFFFAOYSA-N
XLogP2.39
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide (CID 2742916) is 5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCCN3CCCCC3)cc2c1.
What is the InChIKey of 5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide?
The InChIKey is PZNPLXPJIYDQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-22-14-5-6-15-13(11-14)12-16(19-15)17(21)18-7-10-20-8-3-2-4-9-20/h5-6,11-12,19H,2-4,7-10H2,1H3,(H,18,21).
What are the key properties of 5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide?
5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 2742916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).