[3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone

C25H28N2O2 — CID 60527668

IUPAC[3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(CN(Cc2ccccc2)Cc2ccco2)c1)N1CCCCC1
InChIInChI=1S/C25H28N2O2/c28-25(27-14-5-2-6-15-27)23-12-7-11-22(17-23)19-26(20-24-13-8-16-29-24)18-21-9-3-1-4-10-21/h1,3-4,7-13,16-17H,2,5-6,14-15,18-20H2
InChIKeyPYQBYIYVDKVTSZ-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.11
Rot. Bonds7

About [3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone

[3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 60527668) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is [3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID60527668
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name[3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(CN(Cc2ccccc2)Cc2ccco2)c1)N1CCCCC1
InChIInChI=1S/C25H28N2O2/c28-25(27-14-5-2-6-15-27)23-12-7-11-22(17-23)19-26(20-24-13-8-16-29-24)18-21-9-3-1-4-10-21/h1,3-4,7-13,16-17H,2,5-6,14-15,18-20H2
InChIKeyPYQBYIYVDKVTSZ-UHFFFAOYSA-N
XLogP5.11
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119911984
[3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 136524367
2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119913340
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide
CID 37429700
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 82326895
azepan-1-yl(furan-2-yl)methanone
CID 5200992
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884

Frequently Asked Questions

What is the IUPAC name of [3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone (CID 60527668) is [3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone is O=C(c1cccc(CN(Cc2ccccc2)Cc2ccco2)c1)N1CCCCC1.
What is the InChIKey of [3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is PYQBYIYVDKVTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c28-25(27-14-5-2-6-15-27)23-12-7-11-22(17-23)19-26(20-24-13-8-16-29-24)18-21-9-3-1-4-10-21/h1,3-4,7-13,16-17H,2,5-6,14-15,18-20H2.
What are the key properties of [3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone?
[3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 388.51 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 60527668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).