4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide

C23H23N3O3 — CID 66841302

IUPAC4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide
SMILESO=C(NN1CCCCC1)c1cc2c(OCc3coc4ccccc34)cccc2[nH]1
InChIInChI=1S/C23H23N3O3/c27-23(25-26-11-4-1-5-12-26)20-13-18-19(24-20)8-6-10-22(18)29-15-16-14-28-21-9-3-2-7-17(16)21/h2-3,6-10,13-14,24H,1,4-5,11-12,15H2,(H,25,27)
InChIKeyYNFWVSQRPRPOMP-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.62
Rot. Bonds5

About 4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide

4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide (PubChem CID 66841302) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide
PubChem CID66841302
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide
SMILESO=C(NN1CCCCC1)c1cc2c(OCc3coc4ccccc34)cccc2[nH]1
InChIInChI=1S/C23H23N3O3/c27-23(25-26-11-4-1-5-12-26)20-13-18-19(24-20)8-6-10-22(18)29-15-16-14-28-21-9-3-2-7-17(16)21/h2-3,6-10,13-14,24H,1,4-5,11-12,15H2,(H,25,27)
InChIKeyYNFWVSQRPRPOMP-UHFFFAOYSA-N
XLogP4.62
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide?
The IUPAC name of 4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide (CID 66841302) is 4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide?
The canonical SMILES for 4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide is O=C(NN1CCCCC1)c1cc2c(OCc3coc4ccccc34)cccc2[nH]1.
What is the InChIKey of 4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide?
The InChIKey is YNFWVSQRPRPOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-23(25-26-11-4-1-5-12-26)20-13-18-19(24-20)8-6-10-22(18)29-15-16-14-28-21-9-3-2-7-17(16)21/h2-3,6-10,13-14,24H,1,4-5,11-12,15H2,(H,25,27).
What are the key properties of 4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide?
4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-3-ylmethoxy)-N-piperidin-1-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 66841302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).