4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one

C13H25N3O2 — CID 113382211

IUPAC4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one
SMILESCOC(C)CCC(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H25N3O2/c1-11(18-2)3-4-13(17)16-9-12(10-16)15-7-5-14-6-8-15/h11-12,14H,3-10H2,1-2H3
InChIKeyVUTLGDJZTCEMMY-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.08
Rot. Bonds5

About 4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one

4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one (PubChem CID 113382211) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one
PubChem CID113382211
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one
SMILESCOC(C)CCC(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H25N3O2/c1-11(18-2)3-4-13(17)16-9-12(10-16)15-7-5-14-6-8-15/h11-12,14H,3-10H2,1-2H3
InChIKeyVUTLGDJZTCEMMY-UHFFFAOYSA-N
XLogP-0.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one
CID 66201657
3,5,5-trimethyl-1-(3-piperazin-1-ylazetidin-1-yl)hexan-1-one
CID 66203790
1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 59625808
2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66201863
2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120995473
3-methoxy-1-piperazin-1-ylbutan-1-one
CID 82504294
methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate
CID 66196191
3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995440
methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate
CID 66197137
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
3-[1-(4-methoxypentanoyl)pyrrolidin-3-yl]propanoic acid
CID 113382138
1-(4-methoxypentanoyl)piperidine-3-carbothioamide
CID 113382163

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one?
The IUPAC name of 4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one (CID 113382211) is 4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one.
What is the SMILES notation for 4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one?
The canonical SMILES for 4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one is COC(C)CCC(=O)N1CC(N2CCNCC2)C1.
What is the InChIKey of 4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one?
The InChIKey is VUTLGDJZTCEMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(18-2)3-4-13(17)16-9-12(10-16)15-7-5-14-6-8-15/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one?
4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one has a molecular weight of 255.36 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one is sourced from PubChem (CID 113382211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).