1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide

C19H25FN2O4 — CID 131690167

IUPAC1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESCOCCNC(=O)C1OC2(CCN(C(=O)CCF)CC2)c2ccccc21
InChIInChI=1S/C19H25FN2O4/c1-25-13-10-21-18(24)17-14-4-2-3-5-15(14)19(26-17)7-11-22(12-8-19)16(23)6-9-20/h2-5,17H,6-13H2,1H3,(H,21,24)
InChIKeyGNRSYUGMXNVSGL-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.70
Rot. Bonds6

About 1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide

1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (PubChem CID 131690167) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is 1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
PubChem CID131690167
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Name1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESCOCCNC(=O)C1OC2(CCN(C(=O)CCF)CC2)c2ccccc21
InChIInChI=1S/C19H25FN2O4/c1-25-13-10-21-18(24)17-14-4-2-3-5-15(14)19(26-17)7-11-22(12-8-19)16(23)6-9-20/h2-5,17H,6-13H2,1H3,(H,21,24)
InChIKeyGNRSYUGMXNVSGL-UHFFFAOYSA-N
XLogP1.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (CID 131690167) is 1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is COCCNC(=O)C1OC2(CCN(C(=O)CCF)CC2)c2ccccc21.
What is the InChIKey of 1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The InChIKey is GNRSYUGMXNVSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-25-13-10-21-18(24)17-14-4-2-3-5-15(14)19(26-17)7-11-22(12-8-19)16(23)6-9-20/h2-5,17H,6-13H2,1H3,(H,21,24).
What are the key properties of 1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-fluoropropanoyl)-N-(2-methoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 131690167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).