morpholin-4-yl-(4-propylpiperazin-1-yl)methanone

C12H23N3O2 — CID 52542444

IUPACmorpholin-4-yl-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H23N3O2/c1-2-3-13-4-6-14(7-5-13)12(16)15-8-10-17-11-9-15/h2-11H2,1H3
InChIKeyDCZBHSGJGZHKPM-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.47
Rot. Bonds2

About morpholin-4-yl-(4-propylpiperazin-1-yl)methanone

morpholin-4-yl-(4-propylpiperazin-1-yl)methanone (PubChem CID 52542444) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is morpholin-4-yl-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(4-propylpiperazin-1-yl)methanone
PubChem CID52542444
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Namemorpholin-4-yl-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H23N3O2/c1-2-3-13-4-6-14(7-5-13)12(16)15-8-10-17-11-9-15/h2-11H2,1H3
InChIKeyDCZBHSGJGZHKPM-UHFFFAOYSA-N
XLogP0.47
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of morpholin-4-yl-(4-propylpiperazin-1-yl)methanone (CID 52542444) is morpholin-4-yl-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for morpholin-4-yl-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of morpholin-4-yl-(4-propylpiperazin-1-yl)methanone?
The InChIKey is DCZBHSGJGZHKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-3-13-4-6-14(7-5-13)12(16)15-8-10-17-11-9-15/h2-11H2,1H3.
What are the key properties of morpholin-4-yl-(4-propylpiperazin-1-yl)methanone?
morpholin-4-yl-(4-propylpiperazin-1-yl)methanone has a molecular weight of 241.33 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 52542444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).