[3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone

C22H29N3O5 — CID 92600776

IUPAC[3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(CN2CCC(c3cc(C(=O)N4CCOCC4)on3)CC2)c1OC
InChIInChI=1S/C22H29N3O5/c1-27-19-5-3-4-17(21(19)28-2)15-24-8-6-16(7-9-24)18-14-20(30-23-18)22(26)25-10-12-29-13-11-25/h3-5,14,16H,6-13,15H2,1-2H3
InChIKeyZYUFEQNSKBYPEB-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.54
Rot. Bonds6

About [3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone

[3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 92600776) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is [3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
PubChem CID92600776
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name[3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(CN2CCC(c3cc(C(=O)N4CCOCC4)on3)CC2)c1OC
InChIInChI=1S/C22H29N3O5/c1-27-19-5-3-4-17(21(19)28-2)15-24-8-6-16(7-9-24)18-14-20(30-23-18)22(26)25-10-12-29-13-11-25/h3-5,14,16H,6-13,15H2,1-2H3
InChIKeyZYUFEQNSKBYPEB-UHFFFAOYSA-N
XLogP2.54
TPSA77.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

morpholin-4-yl-[3-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone
CID 92574714
[(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone
CID 92576677
[3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 92557995
[3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92599802
1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid
CID 2910657
[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 2903445
[3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92568102
4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 65067016
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 1076473
[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 828762
3-tert-butyl-5-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92552733
3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 74247346

Frequently Asked Questions

What is the IUPAC name of [3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (CID 92600776) is [3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is COc1cccc(CN2CCC(c3cc(C(=O)N4CCOCC4)on3)CC2)c1OC.
What is the InChIKey of [3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is ZYUFEQNSKBYPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-27-19-5-3-4-17(21(19)28-2)15-24-8-6-16(7-9-24)18-14-20(30-23-18)22(26)25-10-12-29-13-11-25/h3-5,14,16H,6-13,15H2,1-2H3.
What are the key properties of [3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
[3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 415.49 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 92600776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).