2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone

C11H22N2O2 — CID 82241766

IUPAC2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCNC(CC(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)6-10-7-13(5-4-12-10)11(14)8-15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyQKSLOZYIBYDQGP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.48
Rot. Bonds4

About 2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone

2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone (PubChem CID 82241766) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone
PubChem CID82241766
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCNC(CC(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)6-10-7-13(5-4-12-10)11(14)8-15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyQKSLOZYIBYDQGP-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpropyl)piperazine-1-carboxamide
CID 90242604
N,N-dimethyl-3-(2-methylpropyl)piperazine-1-carboxamide
CID 82241726
3-methyl-1-[3-(2-methylpropyl)-1,4-diazepan-1-yl]butan-1-one
CID 82243739
tert-butyl (3S)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
CID 45072245
(2R)-4-(2-methoxyacetyl)piperazine-2-carboxamide
CID 25391090
1-[(11R,12R,13R)-12,13-dihydroxy-11-methoxy-7-(2-methylpropyl)-1-oxa-6,9-diazacyclotetradec-9-yl]-2-methoxyethanone
CID 171687798
(2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82248431
benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
CID 45072616
prop-2-enyl 3-(2-methylpropyl)-1,4-diazepane-1-carboxylate
CID 82243701
2-[3-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112546379
furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82243423
2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 105056363

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone (CID 82241766) is 2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone is COCC(=O)N1CCNC(CC(C)C)C1.
What is the InChIKey of 2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone?
The InChIKey is QKSLOZYIBYDQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)6-10-7-13(5-4-12-10)11(14)8-15-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone?
2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone has a molecular weight of 214.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 82241766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).