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

C22H28N2O2 — CID 45238952

IUPACfuran-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(C2CCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C22H28N2O2/c25-22(21-10-15-26-17-21)24-13-8-19(9-14-24)20-7-12-23(16-20)11-6-18-4-2-1-3-5-18/h1-5,10,15,17,19-20H,6-9,11-14,16H2
InChIKeyIRWPDCXZIVEWCL-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.70
Rot. Bonds5

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

furan-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone (PubChem CID 45238952) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is furan-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
PubChem CID45238952
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Namefuran-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(C2CCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C22H28N2O2/c25-22(21-10-15-26-17-21)24-13-8-19(9-14-24)20-7-12-23(16-20)11-6-18-4-2-1-3-5-18/h1-5,10,15,17,19-20H,6-9,11-14,16H2
InChIKeyIRWPDCXZIVEWCL-UHFFFAOYSA-N
XLogP3.70
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 26316106
(3-methylfuran-2-yl)-[4-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 26316109
furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 30728450
(4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 42287691
furan-3-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71976252
(3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 42244536
N-cyclopropyl-2-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]acetamide
CID 56893950
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 71786761
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 45221954
N,N-dimethyl-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 45245585
[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 80666702

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone (CID 45238952) is furan-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone is O=C(c1ccoc1)N1CCC(C2CCN(CCc3ccccc3)C2)CC1.
What is the InChIKey of furan-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
The InChIKey is IRWPDCXZIVEWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-22(21-10-15-26-17-21)24-13-8-19(9-14-24)20-7-12-23(16-20)11-6-18-4-2-1-3-5-18/h1-5,10,15,17,19-20H,6-9,11-14,16H2.
What are the key properties of furan-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
furan-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone has a molecular weight of 352.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 45238952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).