(2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone

C16H23N3O2 — CID 119947314

IUPAC(2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C16H23N3O2/c17-15-4-2-1-3-14(15)16(20)19-9-7-18(8-10-19)13-5-11-21-12-6-13/h1-4,13H,5-12,17H2
InChIKeyPGVQZBZWBRDACA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.21
Rot. Bonds2

About (2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone

(2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone (PubChem CID 119947314) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
PubChem CID119947314
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C16H23N3O2/c17-15-4-2-1-3-14(15)16(20)19-9-7-18(8-10-19)13-5-11-21-12-6-13/h1-4,13H,5-12,17H2
InChIKeyPGVQZBZWBRDACA-UHFFFAOYSA-N
XLogP1.21
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone 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

(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
(2-aminophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119946729
(3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61115004
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
(2,3-diaminophenyl)-morpholin-4-ylmethanone
CID 54188281
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
(2-aminophenyl)-(oxan-4-yl)methanone
CID 64834175
[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid
CID 170325086

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone (CID 119947314) is (2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone is Nc1ccccc1C(=O)N1CCN(C2CCOCC2)CC1.
What is the InChIKey of (2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The InChIKey is PGVQZBZWBRDACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-15-4-2-1-3-14(15)16(20)19-9-7-18(8-10-19)13-5-11-21-12-6-13/h1-4,13H,5-12,17H2.
What are the key properties of (2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
(2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 119947314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).