4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide

C30H35FN4O4 — CID 11284525

IUPAC4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(CCN2CCC(O)CC2)CC1)c1cc2c(OCc3coc4ccc(F)cc34)cccc2[nH]1
InChIInChI=1S/C30H35FN4O4/c31-21-4-5-29-24(16-21)20(19-39-29)18-38-28-3-1-2-26-25(28)17-27(33-26)30(37)32-22-6-10-34(11-7-22)14-15-35-12-8-23(36)9-13-35/h1-5,16-17,19,22-23,33,36H,6-15,18H2,(H,32,37)
InChIKeyFNZSPUFHCCXHRT-UHFFFAOYSA-N
MW534.63 g/mol
LogP4.28
Rot. Bonds8

About 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide

4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide (PubChem CID 11284525) has the molecular formula C30H35FN4O4 and a molecular weight of 534.63 g/mol. Its IUPAC name is 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
PubChem CID11284525
Molecular FormulaC30H35FN4O4
Molecular Weight534.63 g/mol
Exact Mass534.26
IUPAC Name4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(CCN2CCC(O)CC2)CC1)c1cc2c(OCc3coc4ccc(F)cc34)cccc2[nH]1
InChIInChI=1S/C30H35FN4O4/c31-21-4-5-29-24(16-21)20(19-39-29)18-38-28-3-1-2-26-25(28)17-27(33-26)30(37)32-22-6-10-34(11-7-22)14-15-35-12-8-23(36)9-13-35/h1-5,16-17,19,22-23,33,36H,6-15,18H2,(H,32,37)
InChIKeyFNZSPUFHCCXHRT-UHFFFAOYSA-N
XLogP4.28
TPSA93.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.63
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide (CID 11284525) is 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide is O=C(NC1CCN(CCN2CCC(O)CC2)CC1)c1cc2c(OCc3coc4ccc(F)cc34)cccc2[nH]1.
What is the InChIKey of 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The InChIKey is FNZSPUFHCCXHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN4O4/c31-21-4-5-29-24(16-21)20(19-39-29)18-38-28-3-1-2-26-25(28)17-27(33-26)30(37)32-22-6-10-34(11-7-22)14-15-35-12-8-23(36)9-13-35/h1-5,16-17,19,22-23,33,36H,6-15,18H2,(H,32,37).
What are the key properties of 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide has a molecular weight of 534.63 g/mol, XLogP of 4.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 11284525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).