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

C25H30N2O4 — CID 163339664

IUPAC2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC(COc2ccccc2C(=O)N2CCCC2)C1
InChIInChI=1S/C25H30N2O4/c28-24(19-30-21-10-2-1-3-11-21)27-16-8-9-20(17-27)18-31-23-13-5-4-12-22(23)25(29)26-14-6-7-15-26/h1-5,10-13,20H,6-9,14-19H2
InChIKeyYYZWSKMFGSZRNH-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.62
Rot. Bonds7

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

2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone (PubChem CID 163339664) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
PubChem CID163339664
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC(COc2ccccc2C(=O)N2CCCC2)C1
InChIInChI=1S/C25H30N2O4/c28-24(19-30-21-10-2-1-3-11-21)27-16-8-9-20(17-27)18-31-23-13-5-4-12-22(23)25(29)26-14-6-7-15-26/h1-5,10-13,20H,6-9,14-19H2
InChIKeyYYZWSKMFGSZRNH-UHFFFAOYSA-N
XLogP3.62
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110638734
1-[3-(bromomethyl)piperidin-1-yl]-2-phenoxyethanone
CID 80661274
furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 163339996
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
[2-[[1-(1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 163339689
3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid
CID 129415483
[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 110638619
[2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 163339997
azepan-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954316
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone (CID 163339664) is 2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone is O=C(COc1ccccc1)N1CCCC(COc2ccccc2C(=O)N2CCCC2)C1.
What is the InChIKey of 2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
The InChIKey is YYZWSKMFGSZRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c28-24(19-30-21-10-2-1-3-11-21)27-16-8-9-20(17-27)18-31-23-13-5-4-12-22(23)25(29)26-14-6-7-15-26/h1-5,10-13,20H,6-9,14-19H2.
What are the key properties of 2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone has a molecular weight of 422.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 163339664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).