1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one

C11H20N2O — CID 123633503

IUPAC1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C(C)C)C(C)C1
InChIInChI=1S/C11H20N2O/c1-5-11(14)12-6-7-13(9(2)3)10(4)8-12/h5,9-10H,1,6-8H2,2-4H3
InChIKeyRUXPXKASYVNFAK-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.11
Rot. Bonds2

About 1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one

1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 123633503) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
PubChem CID123633503
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C(C)C)C(C)C1
InChIInChI=1S/C11H20N2O/c1-5-11(14)12-6-7-13(9(2)3)10(4)8-12/h5,9-10H,1,6-8H2,2-4H3
InChIKeyRUXPXKASYVNFAK-UHFFFAOYSA-N
XLogP1.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Bis(acryloyl)piperazine
CID 193422
rel-(+)-(2E,4E)-1-((2R,5S)-2,4,5-Trimethyl-1-piperazinyl)-2,4-hexadien-1-one
CID 15939563
1-(4-Methylpiperazin-1-yl)prop-2-en-1-one
CID 13742939
1-[4-(Dimethylamino)piperidin-1-yl]prop-2-en-1-one
CID 43616749
Piperazine, 1-acetyl-4-(2-propenyl)-
CID 17147468
Piperazine, 1-(1-oxo-2-propenyl)-4-propyl-(9CI)
CID 18793249
1-(4-Acetylpiperazin-1-yl)prop-2-en-1-one
CID 23034646
1-(2,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 64979937
1-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 139018768
1-[3-(Dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one
CID 123325579
1-[3-(Difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 135165331
1-(3-Fluoro-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 135165347

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of 1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one (CID 123633503) is 1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for 1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one is C=CC(=O)N1CCN(C(C)C)C(C)C1.
What is the InChIKey of 1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is RUXPXKASYVNFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-11(14)12-6-7-13(9(2)3)10(4)8-12/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one?
1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 196.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 123633503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).