1-(3-methylpiperazin-1-yl)ethanone

C7H14N2O — CID 10749289

IUPAC1-(3-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCNC(C)C1
InChIInChI=1S/C7H14N2O/c1-6-5-9(7(2)10)4-3-8-6/h6,8H,3-5H2,1-2H3
InChIKeyBRAYYCBKNOERRJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.17
Rot. Bonds

About 1-(3-methylpiperazin-1-yl)ethanone

1-(3-methylpiperazin-1-yl)ethanone (PubChem CID 10749289) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(3-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylpiperazin-1-yl)ethanone
PubChem CID10749289
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(3-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCNC(C)C1
InChIInChI=1S/C7H14N2O/c1-6-5-9(7(2)10)4-3-8-6/h6,8H,3-5H2,1-2H3
InChIKeyBRAYYCBKNOERRJ-UHFFFAOYSA-N
XLogP-0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 119577018
N,N,3-trimethylpiperazine-1-carboxamide
CID 14090595
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 104976372
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
1-(3-methylpiperazin-1-yl)but-2-yn-1-one
CID 107990484
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974832
[(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 166607150
hydroxymethyl 3-methylpiperazine-1-carboxylate
CID 118679153
(1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 166001479

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(3-methylpiperazin-1-yl)ethanone (CID 10749289) is 1-(3-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(3-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(3-methylpiperazin-1-yl)ethanone is CC(=O)N1CCNC(C)C1.
What is the InChIKey of 1-(3-methylpiperazin-1-yl)ethanone?
The InChIKey is BRAYYCBKNOERRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6-5-9(7(2)10)4-3-8-6/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-(3-methylpiperazin-1-yl)ethanone?
1-(3-methylpiperazin-1-yl)ethanone has a molecular weight of 142.20 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 10749289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).