1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone

C21H31N3O4 — CID 55496513

IUPAC1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCCCCOc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1
InChIInChI=1S/C21H31N3O4/c1-2-3-14-28-19-6-4-18(5-7-19)21(26)24-10-8-23(9-11-24)20(25)17-22-12-15-27-16-13-22/h4-7H,2-3,8-17H2,1H3
InChIKeyIHFZYUFZEOXWEP-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.48
Rot. Bonds7

About 1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 55496513) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID55496513
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCCCCOc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1
InChIInChI=1S/C21H31N3O4/c1-2-3-14-28-19-6-4-18(5-7-19)21(26)24-10-8-23(9-11-24)20(25)17-22-12-15-27-16-13-22/h4-7H,2-3,8-17H2,1H3
InChIKeyIHFZYUFZEOXWEP-UHFFFAOYSA-N
XLogP1.48
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496456
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674
morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone
CID 112767205
1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496775
1-[4-[2-(4-ethoxyphenyl)sulfanylacetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496339
1-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione
CID 55470812
2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781578
4-butoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 38321399
1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110815229
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide
CID 46653980
N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832283
(4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone
CID 113375601

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone (CID 55496513) is 1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone is CCCCOc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1.
What is the InChIKey of 1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is IHFZYUFZEOXWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-2-3-14-28-19-6-4-18(5-7-19)21(26)24-10-8-23(9-11-24)20(25)17-22-12-15-27-16-13-22/h4-7H,2-3,8-17H2,1H3.
What are the key properties of 1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 389.50 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 55496513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).