3-methoxy-1-piperazin-1-ylbutan-1-one

C9H18N2O2 — CID 82504294

IUPAC3-methoxy-1-piperazin-1-ylbutan-1-one
SMILESCOC(C)CC(=O)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-8(13-2)7-9(12)11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3
InChIKeyPFNMSMZNRLFNJH-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds3

About 3-methoxy-1-piperazin-1-ylbutan-1-one

3-methoxy-1-piperazin-1-ylbutan-1-one (PubChem CID 82504294) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-methoxy-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name3-methoxy-1-piperazin-1-ylbutan-1-one
PubChem CID82504294
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-methoxy-1-piperazin-1-ylbutan-1-one
SMILESCOC(C)CC(=O)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-8(13-2)7-9(12)11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3
InChIKeyPFNMSMZNRLFNJH-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1-piperazin-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-methoxy-1-piperidin-1-ylbutan-1-one
CID 165388208
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one
CID 93256892
4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124
(3S)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-3-methoxybutan-1-one
CID 95607253
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
(3R)-1-(1,4-diazepan-1-yl)-3,5,5-trimethylhexan-1-one
CID 93256894
2-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 112701223
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one
CID 113382211
tert-butyl N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate
CID 70213372
3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 164754110

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 3-methoxy-1-piperazin-1-ylbutan-1-one (CID 82504294) is 3-methoxy-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 3-methoxy-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 3-methoxy-1-piperazin-1-ylbutan-1-one is COC(C)CC(=O)N1CCNCC1.
What is the InChIKey of 3-methoxy-1-piperazin-1-ylbutan-1-one?
The InChIKey is PFNMSMZNRLFNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(13-2)7-9(12)11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 3-methoxy-1-piperazin-1-ylbutan-1-one?
3-methoxy-1-piperazin-1-ylbutan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 82504294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).