(4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone

C23H23NO2 — CID 30532143

IUPAC(4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone
SMILESO=C(c1occc1-c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H23NO2/c25-23(22-21(13-16-26-22)20-9-5-2-6-10-20)24-14-11-19(12-15-24)17-18-7-3-1-4-8-18/h1-10,13,16,19H,11-12,14-15,17H2
InChIKeyZCFSBCBZMYPNAL-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.04
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone

(4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone (PubChem CID 30532143) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone
PubChem CID30532143
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone
SMILESO=C(c1occc1-c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H23NO2/c25-23(22-21(13-16-26-22)20-9-5-2-6-10-20)24-14-11-19(12-15-24)17-18-7-3-1-4-8-18/h1-10,13,16,19H,11-12,14-15,17H2
InChIKeyZCFSBCBZMYPNAL-UHFFFAOYSA-N
XLogP5.04
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-phenylfuran-2-carbonyl)piperidin-4-yl]benzamide
CID 30545510
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione
CID 66084701
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
(3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97240858
(4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 110684703
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-[2-[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
CID 21053636
N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079183
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 166451739

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone (CID 30532143) is (4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone is O=C(c1occc1-c1ccccc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone?
The InChIKey is ZCFSBCBZMYPNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c25-23(22-21(13-16-26-22)20-9-5-2-6-10-20)24-14-11-19(12-15-24)17-18-7-3-1-4-8-18/h1-10,13,16,19H,11-12,14-15,17H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone?
(4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone has a molecular weight of 345.44 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone is sourced from PubChem (CID 30532143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).