1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone

C24H37N3O5 — CID 55496456

IUPAC1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCCCCCCOc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1OC
InChIInChI=1S/C24H37N3O5/c1-3-4-5-6-15-32-21-8-7-20(18-22(21)30-2)24(29)27-11-9-26(10-12-27)23(28)19-25-13-16-31-17-14-25/h7-8,18H,3-6,9-17,19H2,1-2H3
InChIKeyHAVYKOJIAWJEIJ-UHFFFAOYSA-N
MW447.58 g/mol
LogP2.27
Rot. Bonds10

About 1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 55496456) has the molecular formula C24H37N3O5 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID55496456
Molecular FormulaC24H37N3O5
Molecular Weight447.58 g/mol
Exact Mass447.27
IUPAC Name1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCCCCCCOc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1OC
InChIInChI=1S/C24H37N3O5/c1-3-4-5-6-15-32-21-8-7-20(18-22(21)30-2)24(29)27-11-9-26(10-12-27)23(28)19-25-13-16-31-17-14-25/h7-8,18H,3-6,9-17,19H2,1-2H3
InChIKeyHAVYKOJIAWJEIJ-UHFFFAOYSA-N
XLogP2.27
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496513
(4-hexoxy-3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 55329457
(4-hexoxy-3-methoxyphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56544785
(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
CID 112762921
(2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone
CID 55657290
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55376290
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone
CID 55601246
(4-butoxy-3-methoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78781387
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
4-methoxy-N-(2-morpholin-4-ylethyl)-3-pentoxybenzamide
CID 19363436
1-(4-butoxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45426979

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone (CID 55496456) is 1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone is CCCCCCOc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1OC.
What is the InChIKey of 1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is HAVYKOJIAWJEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O5/c1-3-4-5-6-15-32-21-8-7-20(18-22(21)30-2)24(29)27-11-9-26(10-12-27)23(28)19-25-13-16-31-17-14-25/h7-8,18H,3-6,9-17,19H2,1-2H3.
What are the key properties of 1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 447.58 g/mol, XLogP of 2.27, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 55496456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).