1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone

C24H30N2O4 — CID 171143518

IUPAC1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(COc2ccccc2)C(C2CCN(C(=O)c3ccoc3C)CC2)C1
InChIInChI=1S/C24H30N2O4/c1-17-22(10-13-29-17)24(28)25-11-8-19(9-12-25)23-15-26(18(2)27)14-20(23)16-30-21-6-4-3-5-7-21/h3-7,10,13,19-20,23H,8-9,11-12,14-16H2,1-2H3
InChIKeyFYWYDMNQSLXZBI-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.61
Rot. Bonds5

About 1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone

1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 171143518) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID171143518
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(COc2ccccc2)C(C2CCN(C(=O)c3ccoc3C)CC2)C1
InChIInChI=1S/C24H30N2O4/c1-17-22(10-13-29-17)24(28)25-11-8-19(9-12-25)23-15-26(18(2)27)14-20(23)16-30-21-6-4-3-5-7-21/h3-7,10,13,19-20,23H,8-9,11-12,14-16H2,1-2H3
InChIKeyFYWYDMNQSLXZBI-UHFFFAOYSA-N
XLogP3.61
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[1-benzoyl-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 171143563
1-[3-[1-(oxane-4-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone
CID 171143517
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70741775
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-(2-methylfuran-3-yl)methanone
CID 113412127
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70771871
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700857
[4-(2-chloroethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700996
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70764451
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
CID 120744855

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone (CID 171143518) is 1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CC(COc2ccccc2)C(C2CCN(C(=O)c3ccoc3C)CC2)C1.
What is the InChIKey of 1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is FYWYDMNQSLXZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-17-22(10-13-29-17)24(28)25-11-8-19(9-12-25)23-15-26(18(2)27)14-20(23)16-30-21-6-4-3-5-7-21/h3-7,10,13,19-20,23H,8-9,11-12,14-16H2,1-2H3.
What are the key properties of 1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone?
1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 410.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 171143518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).