1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone

C19H36N4O2 — CID 57443142

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone
SMILESCCC(C)N1CCN(C(=O)CN2CCC(N3CCOCC3)CC2)CC1
InChIInChI=1S/C19H36N4O2/c1-3-17(2)21-8-10-23(11-9-21)19(24)16-20-6-4-18(5-7-20)22-12-14-25-15-13-22/h17-18H,3-16H2,1-2H3
InChIKeySPMCXLQMRFPJIL-UHFFFAOYSA-N
MW352.52 g/mol
LogP0.73
Rot. Bonds5

About 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone

1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone (PubChem CID 57443142) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone
PubChem CID57443142
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone
SMILESCCC(C)N1CCN(C(=O)CN2CCC(N3CCOCC3)CC2)CC1
InChIInChI=1S/C19H36N4O2/c1-3-17(2)21-8-10-23(11-9-21)19(24)16-20-6-4-18(5-7-20)22-12-14-25-15-13-22/h17-18H,3-16H2,1-2H3
InChIKeySPMCXLQMRFPJIL-UHFFFAOYSA-N
XLogP0.73
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone (CID 57443142) is 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone is CCC(C)N1CCN(C(=O)CN2CCC(N3CCOCC3)CC2)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is SPMCXLQMRFPJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-3-17(2)21-8-10-23(11-9-21)19(24)16-20-6-4-18(5-7-20)22-12-14-25-15-13-22/h17-18H,3-16H2,1-2H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone has a molecular weight of 352.52 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 57443142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).