2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

C25H33N3O5 — CID 55838917

IUPAC2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1cccc(OC)c1OC1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C25H33N3O5/c1-30-22-4-3-5-23(31-2)25(22)33-21-10-12-27(13-11-21)18-24(29)26-19-6-8-20(9-7-19)28-14-16-32-17-15-28/h3-9,21H,10-18H2,1-2H3,(H,26,29)
InChIKeyWNMUFJHIEUBBLZ-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.02
Rot. Bonds8

About 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 55838917) has the molecular formula C25H33N3O5 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID55838917
Molecular FormulaC25H33N3O5
Molecular Weight455.56 g/mol
Exact Mass455.24
IUPAC Name2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1cccc(OC)c1OC1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C25H33N3O5/c1-30-22-4-3-5-23(31-2)25(22)33-21-10-12-27(13-11-21)18-24(29)26-19-6-8-20(9-7-19)28-14-16-32-17-15-28/h3-9,21H,10-18H2,1-2H3,(H,26,29)
InChIKeyWNMUFJHIEUBBLZ-UHFFFAOYSA-N
XLogP3.02
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2400583
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
N-[4-[1-(2-methylpropyl)piperidin-4-yl]oxyphenyl]-2-morpholin-4-ylacetamide
CID 155759494
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723
2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4824447
N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
CID 155391873
methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
CID 8591015
2-[[2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 55838143
N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362335
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 7990034
2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592860

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 55838917) is 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is COc1cccc(OC)c1OC1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is WNMUFJHIEUBBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5/c1-30-22-4-3-5-23(31-2)25(22)33-21-10-12-27(13-11-21)18-24(29)26-19-6-8-20(9-7-19)28-14-16-32-17-15-28/h3-9,21H,10-18H2,1-2H3,(H,26,29).
What are the key properties of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 455.56 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 55838917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).