furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone

C27H30N2O2 — CID 70200803

IUPACfuran-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1
InChIInChI=1S/C27H30N2O2/c30-27(26-12-7-17-31-26)29-19-24(25(20-29)23-10-5-2-6-11-23)18-28-15-13-22(14-16-28)21-8-3-1-4-9-21/h1-12,17,22,24-25H,13-16,18-20H2
InChIKeyNWAQOASMFJOTSL-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.01
Rot. Bonds5

About furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone

furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 70200803) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID70200803
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Namefuran-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1
InChIInChI=1S/C27H30N2O2/c30-27(26-12-7-17-31-26)29-19-24(25(20-29)23-10-5-2-6-11-23)18-28-15-13-22(14-16-28)21-8-3-1-4-9-21/h1-12,17,22,24-25H,13-16,18-20H2
InChIKeyNWAQOASMFJOTSL-UHFFFAOYSA-N
XLogP5.01
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 120742263
[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 70203150
furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 83277667
(4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200360
[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 70272512
1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine
CID 22116082
(4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70203335
phenyl-[3-phenyl-4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 57239149
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70204070
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
[3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone
CID 22116088

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 70200803) is furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone is O=C(c1ccco1)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1.
What is the InChIKey of furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is NWAQOASMFJOTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c30-27(26-12-7-17-31-26)29-19-24(25(20-29)23-10-5-2-6-11-23)18-28-15-13-22(14-16-28)21-8-3-1-4-9-21/h1-12,17,22,24-25H,13-16,18-20H2.
What are the key properties of furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 414.55 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70200803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).