(4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone

C13H25N3O2 — CID 113240732

IUPAC(4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone
SMILESCCC(C)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H25N3O2/c1-3-12(2)14-4-6-15(7-5-14)13(17)16-8-10-18-11-9-16/h12H,3-11H2,1-2H3
InChIKeyWQEQOCDERHKMMQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.85
Rot. Bonds2

About (4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone

(4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone (PubChem CID 113240732) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone
PubChem CID113240732
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone
SMILESCCC(C)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H25N3O2/c1-3-12(2)14-4-6-15(7-5-14)13(17)16-8-10-18-11-9-16/h12H,3-11H2,1-2H3
InChIKeyWQEQOCDERHKMMQ-UHFFFAOYSA-N
XLogP0.85
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone (CID 113240732) is (4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone is CCC(C)N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of (4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone?
The InChIKey is WQEQOCDERHKMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-12(2)14-4-6-15(7-5-14)13(17)16-8-10-18-11-9-16/h12H,3-11H2,1-2H3.
What are the key properties of (4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone?
(4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone has a molecular weight of 255.36 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 113240732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).