1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone

C23H29N3O2 — CID 54328420

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone
SMILESCC1CC(C)CN(C(=O)COc2nc(-c3ccccc3)nc3c2CCCC3)C1
InChIInChI=1S/C23H29N3O2/c1-16-12-17(2)14-26(13-16)21(27)15-28-23-19-10-6-7-11-20(19)24-22(25-23)18-8-4-3-5-9-18/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3
InChIKeySWPFDENQATXJNC-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.91
Rot. Bonds4

About 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone (PubChem CID 54328420) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone
PubChem CID54328420
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone
SMILESCC1CC(C)CN(C(=O)COc2nc(-c3ccccc3)nc3c2CCCC3)C1
InChIInChI=1S/C23H29N3O2/c1-16-12-17(2)14-26(13-16)21(27)15-28-23-19-10-6-7-11-20(19)24-22(25-23)18-8-4-3-5-9-18/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3
InChIKeySWPFDENQATXJNC-UHFFFAOYSA-N
XLogP3.91
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]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

1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585241
1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 4164452
1-(3,5-dimethylpiperidin-1-yl)-2-[(2,6-diphenylpyrimidin-4-yl)amino]ethanone
CID 15871399
1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone
CID 112788689
(4-ethoxy-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-7-yl)-piperidin-1-ylmethanone
CID 154579240
1-[4-(4-ethoxy-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 154579256
1-[4-(4-ethoxy-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone
CID 154579255
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380296
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanone
CID 8893922
2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112786341

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone (CID 54328420) is 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone is CC1CC(C)CN(C(=O)COc2nc(-c3ccccc3)nc3c2CCCC3)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone?
The InChIKey is SWPFDENQATXJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-12-17(2)14-26(13-16)21(27)15-28-23-19-10-6-7-11-20(19)24-22(25-23)18-8-4-3-5-9-18/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone has a molecular weight of 379.50 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]ethanone is sourced from PubChem (CID 54328420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).