2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone

C17H33N3O3 — CID 176777461

IUPAC2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone
SMILESCC(C)OCCCCN1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C17H33N3O3/c1-16(2)23-12-4-3-5-18-6-8-20(9-7-18)17(21)15-19-10-13-22-14-11-19/h16H,3-15H2,1-2H3
InChIKeyIZZPNRRECAQLMO-UHFFFAOYSA-N
MW327.47 g/mol
LogP0.67
Rot. Bonds8

About 2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone

2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone (PubChem CID 176777461) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone
PubChem CID176777461
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Name2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone
SMILESCC(C)OCCCCN1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C17H33N3O3/c1-16(2)23-12-4-3-5-18-6-8-20(9-7-18)17(21)15-19-10-13-22-14-11-19/h16H,3-15H2,1-2H3
InChIKeyIZZPNRRECAQLMO-UHFFFAOYSA-N
XLogP0.67
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 50.67
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

2-morpholin-4-yl-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 55506472
1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 170569689
1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
CID 171735482
2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170371299
2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 94265647
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
(2R)-2-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840052
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 145317159
4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120564429
1-(4-methylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 170569122

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone (CID 176777461) is 2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone is CC(C)OCCCCN1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone?
The InChIKey is IZZPNRRECAQLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-16(2)23-12-4-3-5-18-6-8-20(9-7-18)17(21)15-19-10-13-22-14-11-19/h16H,3-15H2,1-2H3.
What are the key properties of 2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone?
2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone has a molecular weight of 327.47 g/mol, XLogP of 0.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 176777461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).