2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone

C20H25N3O — CID 119900175

IUPAC2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
SMILESCN(c1ccccc1)C1CCN(C(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C20H25N3O/c1-22(18-5-3-2-4-6-18)19-11-13-23(14-12-19)20(24)15-16-7-9-17(21)10-8-16/h2-10,19H,11-15,21H2,1H3
InChIKeyBGLGSZIBIUNUCM-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.94
Rot. Bonds4

About 2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone

2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone (PubChem CID 119900175) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
PubChem CID119900175
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
SMILESCN(c1ccccc1)C1CCN(C(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C20H25N3O/c1-22(18-5-3-2-4-6-18)19-11-13-23(14-12-19)20(24)15-16-7-9-17(21)10-8-16/h2-10,19H,11-15,21H2,1H3
InChIKeyBGLGSZIBIUNUCM-UHFFFAOYSA-N
XLogP2.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 136578286
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 91641898
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
CID 174895598
2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62936167
1-[(4S)-4-(dimethylamino)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 95724805
2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone
CID 119878570
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide
CID 60964094
2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826832
1-[2-(4-aminophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030537
2-(4-aminophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79174351
2-(4-aminophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 119842927

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone (CID 119900175) is 2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone is CN(c1ccccc1)C1CCN(C(=O)Cc2ccc(N)cc2)CC1.
What is the InChIKey of 2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone?
The InChIKey is BGLGSZIBIUNUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22(18-5-3-2-4-6-18)19-11-13-23(14-12-19)20(24)15-16-7-9-17(21)10-8-16/h2-10,19H,11-15,21H2,1H3.
What are the key properties of 2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone?
2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone has a molecular weight of 323.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 119900175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).