[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone

C21H28N4O3 — CID 109228260

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone
SMILESCOCCCNc1cncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C21H28N4O3/c1-27-13-3-8-23-18-14-17(15-22-16-18)21(26)25-11-9-24(10-12-25)19-4-6-20(28-2)7-5-19/h4-7,14-16,23H,3,8-13H2,1-2H3
InChIKeySOZXKLFUBYLZLS-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.50
Rot. Bonds8

About [4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone (PubChem CID 109228260) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone
PubChem CID109228260
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone
SMILESCOCCCNc1cncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C21H28N4O3/c1-27-13-3-8-23-18-14-17(15-22-16-18)21(26)25-11-9-24(10-12-25)19-4-6-20(28-2)7-5-19/h4-7,14-16,23H,3,8-13H2,1-2H3
InChIKeySOZXKLFUBYLZLS-UHFFFAOYSA-N
XLogP2.50
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-(3-methoxypropylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109228225
[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225504
[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227058
N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102368
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109103429
[5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230077
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227873
N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 46345778
[5-(butylamino)-3-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109224597
[4-(3-methylphenyl)piperazin-1-yl]-[5-(pentylamino)-3-pyridinyl]methanone
CID 109238400
N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228308
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone (CID 109228260) is [4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone is COCCCNc1cncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone?
The InChIKey is SOZXKLFUBYLZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-27-13-3-8-23-18-14-17(15-22-16-18)21(26)25-11-9-24(10-12-25)19-4-6-20(28-2)7-5-19/h4-7,14-16,23H,3,8-13H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone has a molecular weight of 384.48 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109228260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).