(Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one

C11H20N2O — CID 82704552

IUPAC(Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CCNC[C@@H]1C
InChIInChI=1S/C11H20N2O/c1-4-5-9(2)11(14)13-7-6-12-8-10(13)3/h5,10,12H,4,6-8H2,1-3H3/b9-5-/t10-/m0/s1
InChIKeyWFHTWOLYGJRAON-BSKOKIOFSA-N
MW196.29 g/mol
LogP1.16
Rot. Bonds2

About (Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one

(Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one (PubChem CID 82704552) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one
PubChem CID82704552
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CCNC[C@@H]1C
InChIInChI=1S/C11H20N2O/c1-4-5-9(2)11(14)13-7-6-12-8-10(13)3/h5,10,12H,4,6-8H2,1-3H3/b9-5-/t10-/m0/s1
InChIKeyWFHTWOLYGJRAON-BSKOKIOFSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylpiperazin-1-yl)-2-methylpent-2-en-1-one
CID 77052197
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
3-methyl-1-[(2S)-2-methylpiperazin-1-yl]but-2-en-1-one
CID 82704652
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
ethyl 2-methylpiperazine-1-carboxylate;hydrochloride
CID 118918526
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
5,9,13,17-tetramethyl-1-(2-methylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
CID 70471801
2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119472127
[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate
CID 146597799
2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
CID 79001882

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one?
The IUPAC name of (Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one (CID 82704552) is (Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one.
What is the SMILES notation for (Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one?
The canonical SMILES for (Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one is CC/C=C(/C)C(=O)N1CCNC[C@@H]1C.
What is the InChIKey of (Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one?
The InChIKey is WFHTWOLYGJRAON-BSKOKIOFSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-5-9(2)11(14)13-7-6-12-8-10(13)3/h5,10,12H,4,6-8H2,1-3H3/b9-5-/t10-/m0/s1.
What are the key properties of (Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one?
(Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one has a molecular weight of 196.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-1-[(2S)-2-methylpiperazin-1-yl]pent-2-en-1-one is sourced from PubChem (CID 82704552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).