[4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone

C21H26N4O3 — CID 51210361

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cccnc3N3CCOCC3)CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-27-18-6-4-17(5-7-18)23-9-11-25(12-10-23)21(26)19-3-2-8-22-20(19)24-13-15-28-16-14-24/h2-8H,9-16H2,1H3
InChIKeyZXSGTMVEUHNURN-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.89
Rot. Bonds4

About [4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone (PubChem CID 51210361) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone
PubChem CID51210361
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cccnc3N3CCOCC3)CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-27-18-6-4-17(5-7-18)23-9-11-25(12-10-23)21(26)19-3-2-8-22-20(19)24-13-15-28-16-14-24/h2-8H,9-16H2,1H3
InChIKeyZXSGTMVEUHNURN-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

(2-chloro-3-pyridinyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159021
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 2091587
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
[4-(4-fluorophenyl)piperazin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575308
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone
CID 53010018
[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184633
4-(4-methoxyphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111242927
N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 39507171
(2-methoxy-3-pyridinyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122355432
[2-[(4-chlorophenyl)methylsulfanyl]-3-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 20967203
[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]-(2-morpholin-4-yl-3-pyridinyl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone (CID 51210361) is [4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone is COc1ccc(N2CCN(C(=O)c3cccnc3N3CCOCC3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone?
The InChIKey is ZXSGTMVEUHNURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-18-6-4-17(5-7-18)23-9-11-25(12-10-23)21(26)19-3-2-8-22-20(19)24-13-15-28-16-14-24/h2-8H,9-16H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone 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 [4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 51210361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).