[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone

C17H18F2N2O2 — CID 56814831

IUPAC[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(NCc2cc(F)ccc2F)CC1
InChIInChI=1S/C17H18F2N2O2/c18-13-3-4-15(19)12(10-13)11-20-14-5-7-21(8-6-14)17(22)16-2-1-9-23-16/h1-4,9-10,14,20H,5-8,11H2
InChIKeyVZHWNHABCUVWSE-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.95
Rot. Bonds4

About [4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone

[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 56814831) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is [4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID56814831
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(NCc2cc(F)ccc2F)CC1
InChIInChI=1S/C17H18F2N2O2/c18-13-3-4-15(19)12(10-13)11-20-14-5-7-21(8-6-14)17(22)16-2-1-9-23-16/h1-4,9-10,14,20H,5-8,11H2
InChIKeyVZHWNHABCUVWSE-UHFFFAOYSA-N
XLogP2.95
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone
CID 119109935
N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 55593776
[4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 154793880
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
CID 103943635
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17477799
5-fluoro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136514589
N-[(4-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24817713
1-(2,4-difluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 131914213
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide
CID 54902697

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone (CID 56814831) is [4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(NCc2cc(F)ccc2F)CC1.
What is the InChIKey of [4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is VZHWNHABCUVWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c18-13-3-4-15(19)12(10-13)11-20-14-5-7-21(8-6-14)17(22)16-2-1-9-23-16/h1-4,9-10,14,20H,5-8,11H2.
What are the key properties of [4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone?
[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 320.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 56814831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).