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

C19H25FN2O3 — CID 131691295

IUPAC1'-(3-fluoropropanoyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESCC(C)NC(=O)C1OC2(CCN(C(=O)CCF)CC2)c2ccccc21
InChIInChI=1S/C19H25FN2O3/c1-13(2)21-18(24)17-14-5-3-4-6-15(14)19(25-17)8-11-22(12-9-19)16(23)7-10-20/h3-6,13,17H,7-12H2,1-2H3,(H,21,24)
InChIKeyLPJYMPCSPXVVJA-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.46
Rot. Bonds4

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

1'-(3-fluoropropanoyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (PubChem CID 131691295) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1'-(3-fluoropropanoyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-(3-fluoropropanoyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
PubChem CID131691295
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1'-(3-fluoropropanoyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESCC(C)NC(=O)C1OC2(CCN(C(=O)CCF)CC2)c2ccccc21
InChIInChI=1S/C19H25FN2O3/c1-13(2)21-18(24)17-14-5-3-4-6-15(14)19(25-17)8-11-22(12-9-19)16(23)7-10-20/h3-6,13,17H,7-12H2,1-2H3,(H,21,24)
InChIKeyLPJYMPCSPXVVJA-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-fluoropropanoyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-(3-fluoropropanoyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (CID 131691295) is 1'-(3-fluoropropanoyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-(3-fluoropropanoyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-(3-fluoropropanoyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is CC(C)NC(=O)C1OC2(CCN(C(=O)CCF)CC2)c2ccccc21.
What is the InChIKey of 1'-(3-fluoropropanoyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The InChIKey is LPJYMPCSPXVVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-13(2)21-18(24)17-14-5-3-4-6-15(14)19(25-17)8-11-22(12-9-19)16(23)7-10-20/h3-6,13,17H,7-12H2,1-2H3,(H,21,24).
What are the key properties of 1'-(3-fluoropropanoyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
1'-(3-fluoropropanoyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-fluoropropanoyl)-N-propan-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 131691295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).