N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

C23H28FN3O3 — CID 86965307

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)C2)c1
InChIInChI=1S/C23H28FN3O3/c1-16-4-5-20(24)21(13-16)27-9-2-3-19(14-27)25-22(28)17-6-10-26(11-7-17)23(29)18-8-12-30-15-18/h4-5,8,12-13,15,17,19H,2-3,6-7,9-11,14H2,1H3,(H,25,28)
InChIKeyZJFXOBCTXGBTGT-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.36
Rot. Bonds4

About N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 86965307) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID86965307
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)C2)c1
InChIInChI=1S/C23H28FN3O3/c1-16-4-5-20(24)21(13-16)27-9-2-3-19(14-27)25-22(28)17-6-10-26(11-7-17)23(29)18-8-12-30-15-18/h4-5,8,12-13,15,17,19H,2-3,6-7,9-11,14H2,1H3,(H,25,28)
InChIKeyZJFXOBCTXGBTGT-UHFFFAOYSA-N
XLogP3.36
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide
CID 86967402
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 86965317
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide
CID 86966256
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
CID 86967421
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
N-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-pyrazol-1-ylacetamide
CID 95629388
N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30711489
N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113002549

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 86965307) is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is Cc1ccc(F)c(N2CCCC(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)C2)c1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is ZJFXOBCTXGBTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-16-4-5-20(24)21(13-16)27-9-2-3-19(14-27)25-22(28)17-6-10-26(11-7-17)23(29)18-8-12-30-15-18/h4-5,8,12-13,15,17,19H,2-3,6-7,9-11,14H2,1H3,(H,25,28).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 86965307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).