[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone

C21H28N4O2 — CID 109227873

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
SMILESCOCCNc1cncc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C21H28N4O2/c1-16-5-4-6-20(17(16)2)24-8-10-25(11-9-24)21(26)18-13-19(15-22-14-18)23-7-12-27-3/h4-6,13-15,23H,7-12H2,1-3H3
InChIKeyUUAPMYURNGMOPB-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.72
Rot. Bonds6

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone (PubChem CID 109227873) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
PubChem CID109227873
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
SMILESCOCCNc1cncc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C21H28N4O2/c1-16-5-4-6-20(17(16)2)24-8-10-25(11-9-24)21(26)18-13-19(15-22-14-18)23-7-12-27-3/h4-6,13-15,23H,7-12H2,1-3H3
InChIKeyUUAPMYURNGMOPB-UHFFFAOYSA-N
XLogP2.72
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(2-methoxyethylamino)pyrimidin-5-yl]methanone
CID 109251538
N-butyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109101971
[5-(3-methoxypropylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109228225
(4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227858
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903
(4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227890
[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone
CID 109228260
[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225504
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228601
[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109229318
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 17471283
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
CID 109114134

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone (CID 109227873) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone is COCCNc1cncc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
The InChIKey is UUAPMYURNGMOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16-5-4-6-20(17(16)2)24-8-10-25(11-9-24)21(26)18-13-19(15-22-14-18)23-7-12-27-3/h4-6,13-15,23H,7-12H2,1-3H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone has a molecular weight of 368.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109227873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).