4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide

C27H31FN4O2 — CID 10552023

IUPAC4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide
SMILESCN1CCC2(CC1)COc1ccc(NC(=O)N3CCC(c4c[nH]c5ccc(F)cc45)CC3)cc12
InChIInChI=1S/C27H31FN4O2/c1-31-12-8-27(9-13-31)17-34-25-5-3-20(15-23(25)27)30-26(33)32-10-6-18(7-11-32)22-16-29-24-4-2-19(28)14-21(22)24/h2-5,14-16,18,29H,6-13,17H2,1H3,(H,30,33)
InChIKeyHIBNGDNAJQHLGU-UHFFFAOYSA-N
MW462.57 g/mol
LogP5.07
Rot. Bonds2

About 4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide

4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide (PubChem CID 10552023) has the molecular formula C27H31FN4O2 and a molecular weight of 462.57 g/mol. Its IUPAC name is 4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide
PubChem CID10552023
Molecular FormulaC27H31FN4O2
Molecular Weight462.57 g/mol
Exact Mass462.24
IUPAC Name4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide
SMILESCN1CCC2(CC1)COc1ccc(NC(=O)N3CCC(c4c[nH]c5ccc(F)cc45)CC3)cc12
InChIInChI=1S/C27H31FN4O2/c1-31-12-8-27(9-13-31)17-34-25-5-3-20(15-23(25)27)30-26(33)32-10-6-18(7-11-32)22-16-29-24-4-2-19(28)14-21(22)24/h2-5,14-16,18,29H,6-13,17H2,1H3,(H,30,33)
InChIKeyHIBNGDNAJQHLGU-UHFFFAOYSA-N
XLogP5.07
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide (CID 10552023) is 4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide is CN1CCC2(CC1)COc1ccc(NC(=O)N3CCC(c4c[nH]c5ccc(F)cc45)CC3)cc12.
What is the InChIKey of 4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide?
The InChIKey is HIBNGDNAJQHLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O2/c1-31-12-8-27(9-13-31)17-34-25-5-3-20(15-23(25)27)30-26(33)32-10-6-18(7-11-32)22-16-29-24-4-2-19(28)14-21(22)24/h2-5,14-16,18,29H,6-13,17H2,1H3,(H,30,33).
What are the key properties of 4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide?
4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 5.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 10552023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).