furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone

C22H26N2O4 — CID 163339996

IUPACfuran-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCCC(COc2ccccc2C(=O)N2CCCC2)C1
InChIInChI=1S/C22H26N2O4/c25-21(18-9-13-27-16-18)24-12-5-6-17(14-24)15-28-20-8-2-1-7-19(20)22(26)23-10-3-4-11-23/h1-2,7-9,13,16-17H,3-6,10-12,14-15H2
InChIKeyGQHSNFKTQQWFNL-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.45
Rot. Bonds5

About furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone

furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone (PubChem CID 163339996) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
PubChem CID163339996
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namefuran-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCCC(COc2ccccc2C(=O)N2CCCC2)C1
InChIInChI=1S/C22H26N2O4/c25-21(18-9-13-27-16-18)24-12-5-6-17(14-24)15-28-20-8-2-1-7-19(20)22(26)23-10-3-4-11-23/h1-2,7-9,13,16-17H,3-6,10-12,14-15H2
InChIKeyGQHSNFKTQQWFNL-UHFFFAOYSA-N
XLogP3.45
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[1-(1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 163339689
2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 163339664
[2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 163339997
3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid
CID 129415483
N-cyclopropyl-3-[[(3R)-1-(furan-3-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 92900949
N-cyclopropyl-3-[[1-(furan-3-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 50846714
[3-(2-chloroethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 63395748
[3-[[1-(2-methylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50847103
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
[4-[[(3S)-1-(2-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 95097733

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone (CID 163339996) is furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone is O=C(c1ccoc1)N1CCCC(COc2ccccc2C(=O)N2CCCC2)C1.
What is the InChIKey of furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone?
The InChIKey is GQHSNFKTQQWFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-21(18-9-13-27-16-18)24-12-5-6-17(14-24)15-28-20-8-2-1-7-19(20)22(26)23-10-3-4-11-23/h1-2,7-9,13,16-17H,3-6,10-12,14-15H2.
What are the key properties of furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone?
furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone has a molecular weight of 382.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 163339996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).