furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C22H28N2O2 — CID 83277667

IUPACfuran-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CN(C(=O)c3ccco3)CC2CN2CCCCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-17-7-9-18(10-8-17)20-16-24(22(25)21-6-5-13-26-21)15-19(20)14-23-11-3-2-4-12-23/h5-10,13,19-20H,2-4,11-12,14-16H2,1H3
InChIKeyXMZDBDRLASBNSZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.93
Rot. Bonds4

About furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 83277667) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID83277667
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Namefuran-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CN(C(=O)c3ccco3)CC2CN2CCCCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-17-7-9-18(10-8-17)20-16-24(22(25)21-6-5-13-26-21)15-19(20)14-23-11-3-2-4-12-23/h5-10,13,19-20H,2-4,11-12,14-16H2,1H3
InChIKeyXMZDBDRLASBNSZ-UHFFFAOYSA-N
XLogP3.93
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200803
2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 46062679
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 120742263
(4-fluorophenyl)-[3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 42863664
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
1-[3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 42863671
methyl 3-oxo-3-[3-phenyl-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propanoate
CID 42863641
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
(3-methylphenyl)-[3-(pyrrolidin-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 46062704

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 83277667) is furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone is Cc1ccc(C2CN(C(=O)c3ccco3)CC2CN2CCCCC2)cc1.
What is the InChIKey of furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is XMZDBDRLASBNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-7-9-18(10-8-17)20-16-24(22(25)21-6-5-13-26-21)15-19(20)14-23-11-3-2-4-12-23/h5-10,13,19-20H,2-4,11-12,14-16H2,1H3.
What are the key properties of furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 352.48 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 83277667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).