2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone

C25H33N3O3 — CID 127250449

IUPAC2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone
SMILESCCN1CCC(CC(=O)N2CCOC(c3ccc(-c4cccc(OC)c4)cn3)C2)CC1
InChIInChI=1S/C25H33N3O3/c1-3-27-11-9-19(10-12-27)15-25(29)28-13-14-31-24(18-28)23-8-7-21(17-26-23)20-5-4-6-22(16-20)30-2/h4-8,16-17,19,24H,3,9-15,18H2,1-2H3
InChIKeyVTJQATUOOQCPHX-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.78
Rot. Bonds6

About 2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone

2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone (PubChem CID 127250449) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone
PubChem CID127250449
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone
SMILESCCN1CCC(CC(=O)N2CCOC(c3ccc(-c4cccc(OC)c4)cn3)C2)CC1
InChIInChI=1S/C25H33N3O3/c1-3-27-11-9-19(10-12-27)15-25(29)28-13-14-31-24(18-28)23-8-7-21(17-26-23)20-5-4-6-22(16-20)30-2/h4-8,16-17,19,24H,3,9-15,18H2,1-2H3
InChIKeyVTJQATUOOQCPHX-UHFFFAOYSA-N
XLogP3.78
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone
CID 127250394
2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 170732205
2-(1-ethylpiperidin-4-yl)-1-[1-[5-(3-methoxyphenyl)-2-pyridinyl]piperidin-3-yl]ethanone
CID 170732207
4-[(4-fluorophenyl)methyl]-2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholine
CID 127250272
3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide
CID 127250335
1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one
CID 127252242
2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134803
2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone
CID 127250284
3-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]-3-pyridinyl]benzoic acid
CID 175660676
2-(1,3-dihydroisoindol-2-yl)-1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600443
2-(1,3-dihydroisoindol-2-yl)-1-[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600444
1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 127250400

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone (CID 127250449) is 2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone is CCN1CCC(CC(=O)N2CCOC(c3ccc(-c4cccc(OC)c4)cn3)C2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone?
The InChIKey is VTJQATUOOQCPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-3-27-11-9-19(10-12-27)15-25(29)28-13-14-31-24(18-28)23-8-7-21(17-26-23)20-5-4-6-22(16-20)30-2/h4-8,16-17,19,24H,3,9-15,18H2,1-2H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone?
2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone has a molecular weight of 423.56 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 127250449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).