[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone

C21H26N4O3 — CID 109184633

IUPAC[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(N2CCN(c3ccc(C(=O)N4CCOCC4)nc3)CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-27-19-5-2-17(3-6-19)23-8-10-24(11-9-23)18-4-7-20(22-16-18)21(26)25-12-14-28-15-13-25/h2-7,16H,8-15H2,1H3
InChIKeyHZCSZTQGQDUWHY-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.89
Rot. Bonds4

About [5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone

[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 109184633) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID109184633
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(N2CCN(c3ccc(C(=O)N4CCOCC4)nc3)CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-27-19-5-2-17(3-6-19)23-8-10-24(11-9-23)18-4-7-20(22-16-18)21(26)25-12-14-28-15-13-25/h2-7,16H,8-15H2,1H3
InChIKeyHZCSZTQGQDUWHY-UHFFFAOYSA-N
XLogP1.89
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-(cyclohexylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109183140
[4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone
CID 109184792
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
CID 110705277
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 51210361
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 22330648
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide
CID 109196532
[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111969
azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109182048
[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone
CID 53010018
[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182571

Frequently Asked Questions

What is the IUPAC name of [5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone (CID 109184633) is [5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone is COc1ccc(N2CCN(c3ccc(C(=O)N4CCOCC4)nc3)CC2)cc1.
What is the InChIKey of [5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is HZCSZTQGQDUWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-19-5-2-17(3-6-19)23-8-10-24(11-9-23)18-4-7-20(22-16-18)21(26)25-12-14-28-15-13-25/h2-7,16H,8-15H2,1H3.
What are the key properties of [5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 382.46 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109184633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).