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

C11H20N2O — CID 156531720

IUPAC1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C(C)C)[C@H](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/t10-/m1/s1
InChIKeyRUXPXKASYVNFAK-SNVBAGLBSA-N
MW196.29 g/mol
LogP1.11
Rot. Bonds2

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

1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one (PubChem CID 156531720) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
PubChem CID156531720
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C(C)C)[C@H](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/t10-/m1/s1
InChIKeyRUXPXKASYVNFAK-SNVBAGLBSA-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-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 156511039
1-[3-(2,2-difluoroethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 135165412
1-[(3S)-3,4-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 155332143
(E)-5-(2-methyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)hex-2-en-1-one
CID 152978167
1-[(3S)-4-iodo-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 166662828
2-methyl-4-prop-2-enoylpiperazine-1-carboxylic acid
CID 135149025
1-(4-tert-butyl-3-methylpiperazin-1-yl)prop-2-en-1-one
CID 90440165
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 112624811
1-[3-(difluoromethyl)-4-methylpiperazin-1-yl]prop-2-en-1-one
CID 147998852
(Z)-2-fluoro-4-[methyl-[3-(3-methyl-4-prop-2-enoylpiperazin-1-yl)butyl]amino]-1-(3-methyl-4-propan-2-ylpiperazin-1-yl)but-2-en-1-one
CID 174261079
1-prop-2-enoylpiperidine-3,4-dicarboxylic acid
CID 112567977
1-[(2S,6R)-2,6-dimethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 154591417

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one (CID 156531720) is 1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(C(C)C)[C@H](C)C1.
What is the InChIKey of 1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one?
The InChIKey is RUXPXKASYVNFAK-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one?
1-[(3R)-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-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 156531720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).