1-[(2S)-2-methylpiperazin-1-yl]ethanone

C7H14N2O — CID 54446440

IUPAC1-[(2S)-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCNC[C@@H]1C
InChIInChI=1S/C7H14N2O/c1-6-5-8-3-4-9(6)7(2)10/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyWRVQFYLHOZQHFY-LURJTMIESA-N
MW142.20 g/mol
LogP-0.17
Rot. Bonds

About 1-[(2S)-2-methylpiperazin-1-yl]ethanone

1-[(2S)-2-methylpiperazin-1-yl]ethanone (PubChem CID 54446440) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-[(2S)-2-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methylpiperazin-1-yl]ethanone
PubChem CID54446440
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-[(2S)-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCNC[C@@H]1C
InChIInChI=1S/C7H14N2O/c1-6-5-8-3-4-9(6)7(2)10/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyWRVQFYLHOZQHFY-LURJTMIESA-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-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
3-methyl-1-[(2S)-2-methylpiperazin-1-yl]but-2-en-1-one
CID 82704652
(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 82756259
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
[(1R,2R)-2-methylcyclopropyl]-(2-methylpiperazin-1-yl)methanone
CID 155385369
2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128923025
[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate
CID 146597799
1-(2-propan-2-ylpiperazin-1-yl)ethanone
CID 82240899
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone
CID 176676947

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-methylpiperazin-1-yl]ethanone (CID 54446440) is 1-[(2S)-2-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-methylpiperazin-1-yl]ethanone is CC(=O)N1CCNC[C@@H]1C.
What is the InChIKey of 1-[(2S)-2-methylpiperazin-1-yl]ethanone?
The InChIKey is WRVQFYLHOZQHFY-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O/c1-6-5-8-3-4-9(6)7(2)10/h6,8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-2-methylpiperazin-1-yl]ethanone?
1-[(2S)-2-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-[(2S)-2-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 54446440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).