2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide

C27H33N3O4 — CID 68893640

IUPAC2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(CCCN3C=COC(C4=CC=CC(=O)C4)=C3)CC2)cc1
InChIInChI=1S/C27H33N3O4/c1-33-25-8-6-21(7-9-25)18-27(32)28-23-10-14-29(15-11-23)12-3-13-30-16-17-34-26(20-30)22-4-2-5-24(31)19-22/h2,4-9,16-17,20,23H,3,10-15,18-19H2,1H3,(H,28,32)
InChIKeyPJHWTCRJYXGMCQ-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.31
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide

2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide (PubChem CID 68893640) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide
PubChem CID68893640
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(CCCN3C=COC(C4=CC=CC(=O)C4)=C3)CC2)cc1
InChIInChI=1S/C27H33N3O4/c1-33-25-8-6-21(7-9-25)18-27(32)28-23-10-14-29(15-11-23)12-3-13-30-16-17-34-26(20-30)22-4-2-5-24(31)19-22/h2,4-9,16-17,20,23H,3,10-15,18-19H2,1H3,(H,28,32)
InChIKeyPJHWTCRJYXGMCQ-UHFFFAOYSA-N
XLogP3.31
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide 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

N-[1-[3-[2-(2-chloro-5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 68966322
5-chloro-2-[1-[2-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]ethyl]piperidin-4-yl]-N-(2-phenylethyl)benzamide
CID 69040205
N-(1-ethylpiperidin-4-yl)-3-(4-methoxyphenyl)propanamide
CID 17250230
4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide
CID 86907108
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
N-[4-(ethylamino)cyclohexyl]-2-(4-methoxyphenyl)acetamide
CID 43653285
N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55913747
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149186
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]butanamide
CID 110821940
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108559556
2-[4-[(4-methoxyphenyl)methylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 34700282
4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
CID 108553492

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide (CID 68893640) is 2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide is COc1ccc(CC(=O)NC2CCN(CCCN3C=COC(C4=CC=CC(=O)C4)=C3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide?
The InChIKey is PJHWTCRJYXGMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-33-25-8-6-21(7-9-25)18-27(32)28-23-10-14-29(15-11-23)12-3-13-30-16-17-34-26(20-30)22-4-2-5-24(31)19-22/h2,4-9,16-17,20,23H,3,10-15,18-19H2,1H3,(H,28,32).
What are the key properties of 2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide?
2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide has a molecular weight of 463.58 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[1-[3-[2-(5-oxocyclohexa-1,3-dien-1-yl)-1,4-oxazin-4-yl]propyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 68893640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).