N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide

C25H26F2N2O2 — CID 55836960

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C25H26F2N2O2/c26-22-9-6-18(16-23(22)27)17-29-14-12-20(13-15-29)28-25(30)11-8-21-7-10-24(31-21)19-4-2-1-3-5-19/h1-7,9-10,16,20H,8,11-15,17H2,(H,28,30)
InChIKeyVHKFDBKACXNCDX-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.94
Rot. Bonds7

About N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 55836960) has the molecular formula C25H26F2N2O2 and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide
PubChem CID55836960
Molecular FormulaC25H26F2N2O2
Molecular Weight424.49 g/mol
Exact Mass424.20
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C25H26F2N2O2/c26-22-9-6-18(16-23(22)27)17-29-14-12-20(13-15-29)28-25(30)11-8-21-7-10-24(31-21)19-4-2-1-3-5-19/h1-7,9-10,16,20H,8,11-15,17H2,(H,28,30)
InChIKeyVHKFDBKACXNCDX-UHFFFAOYSA-N
XLogP4.94
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-3-(5-phenylfuran-2-yl)propanamide
CID 18156265
3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55949551
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 55949747
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55950818
N-[3-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 55836827
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55949666
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 118783776
4-bromo-N-[3-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 60550207
N-cyclohexyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9243405
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55949418

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide (CID 55836960) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide is O=C(CCc1ccc(-c2ccccc2)o1)NC1CCN(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is VHKFDBKACXNCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O2/c26-22-9-6-18(16-23(22)27)17-29-14-12-20(13-15-29)28-25(30)11-8-21-7-10-24(31-21)19-4-2-1-3-5-19/h1-7,9-10,16,20H,8,11-15,17H2,(H,28,30).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 424.49 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 55836960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).