1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one

C20H32N4O3 — CID 109016734

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCNCCN2CCOCC2)CC1
InChIInChI=1S/C20H32N4O3/c1-26-19-5-3-2-4-18(19)23-10-12-24(13-11-23)20(25)6-7-21-8-9-22-14-16-27-17-15-22/h2-5,21H,6-17H2,1H3
InChIKeyQAGHTXJFWKCVQP-UHFFFAOYSA-N
MW376.50 g/mol
LogP0.66
Rot. Bonds8

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one (PubChem CID 109016734) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one
PubChem CID109016734
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCNCCN2CCOCC2)CC1
InChIInChI=1S/C20H32N4O3/c1-26-19-5-3-2-4-18(19)23-10-12-24(13-11-23)20(25)6-7-21-8-9-22-14-16-27-17-15-22/h2-5,21H,6-17H2,1H3
InChIKeyQAGHTXJFWKCVQP-UHFFFAOYSA-N
XLogP0.66
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-2-oxoacetamide
CID 108517573
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methoxypropylamino)propan-1-one
CID 109015536
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methylbutylamino)propan-1-one
CID 109029444
3-(benzylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109018947
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110688170
3-(2,6-dimethylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029461
1-morpholin-4-yl-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109015660
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982247
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029504
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
3-(2-ethylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029463
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 70778526

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one (CID 109016734) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one is COc1ccccc1N1CCN(C(=O)CCNCCN2CCOCC2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one?
The InChIKey is QAGHTXJFWKCVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-26-19-5-3-2-4-18(19)23-10-12-24(13-11-23)20(25)6-7-21-8-9-22-14-16-27-17-15-22/h2-5,21H,6-17H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one has a molecular weight of 376.50 g/mol, XLogP of 0.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one is sourced from PubChem (CID 109016734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).