1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one

C17H22N2O — CID 171156673

IUPAC1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one
SMILESCC1CN(C2CC2)CCN1C(=O)C=Cc1ccccc1
InChIInChI=1S/C17H22N2O/c1-14-13-18(16-8-9-16)11-12-19(14)17(20)10-7-15-5-3-2-4-6-15/h2-7,10,14,16H,8-9,11-13H2,1H3
InChIKeyAUVICUUUFRWEIQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.39
Rot. Bonds3

About 1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one

1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one (PubChem CID 171156673) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one
PubChem CID171156673
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one
SMILESCC1CN(C2CC2)CCN1C(=O)C=Cc1ccccc1
InChIInChI=1S/C17H22N2O/c1-14-13-18(16-8-9-16)11-12-19(14)17(20)10-7-15-5-3-2-4-6-15/h2-7,10,14,16H,8-9,11-13H2,1H3
InChIKeyAUVICUUUFRWEIQ-UHFFFAOYSA-N
XLogP2.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.39
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

(E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97040917
(E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 5371862
(E)-1-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-3-phenylprop-2-en-1-one
CID 129424094
(E)-1-[2-(4-methylcyclohexyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 110184789
3-(3-fluorophenyl)-1-[(3S)-4-[3-(3-fluorophenyl)prop-2-enoyl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 78906132
(E)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 13430534
(E)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 134033946
(E)-1-(4-benzyl-2-methyl-1,4-diazepan-1-yl)-3-pyridin-4-ylprop-2-en-1-one
CID 75407691
3-(4-tert-butylphenyl)-1-[4-[3-(4-tert-butylphenyl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 4517918
(E)-3-(3-chlorophenyl)-1-[(2S,5R)-4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 6554479
(E)-1-[4-(4-cyclopentylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 134020859
(E)-1-[4-[6-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-3-phenylprop-2-en-1-one
CID 42872739

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of 1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one (CID 171156673) is 1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one is CC1CN(C2CC2)CCN1C(=O)C=Cc1ccccc1.
What is the InChIKey of 1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one?
The InChIKey is AUVICUUUFRWEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-14-13-18(16-8-9-16)11-12-19(14)17(20)10-7-15-5-3-2-4-6-15/h2-7,10,14,16H,8-9,11-13H2,1H3.
What are the key properties of 1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one?
1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one has a molecular weight of 270.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 171156673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).