[4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone

C17H20N4O — CID 82533937

IUPAC[4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCc1ccc(N2CCN(C(=O)c3ccncc3)CC2)cc1N
InChIInChI=1S/C17H20N4O/c1-13-2-3-15(12-16(13)18)20-8-10-21(11-9-20)17(22)14-4-6-19-7-5-14/h2-7,12H,8-11,18H2,1H3
InChIKeyJQTWUOYYXIEHSD-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.93
Rot. Bonds2

About [4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone

[4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 82533937) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID82533937
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCc1ccc(N2CCN(C(=O)c3ccncc3)CC2)cc1N
InChIInChI=1S/C17H20N4O/c1-13-2-3-15(12-16(13)18)20-8-10-21(11-9-20)17(22)14-4-6-19-7-5-14/h2-7,12H,8-11,18H2,1H3
InChIKeyJQTWUOYYXIEHSD-UHFFFAOYSA-N
XLogP1.93
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 43461901
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113076863
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 59676606
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 16789345
[4-(2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808553
(6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 68729434
(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 18069676
[4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803086

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone (CID 82533937) is [4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone is Cc1ccc(N2CCN(C(=O)c3ccncc3)CC2)cc1N.
What is the InChIKey of [4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is JQTWUOYYXIEHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-2-3-15(12-16(13)18)20-8-10-21(11-9-20)17(22)14-4-6-19-7-5-14/h2-7,12H,8-11,18H2,1H3.
What are the key properties of [4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone?
[4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 296.37 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 82533937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).