1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one

C21H30N2O3 — CID 69022770

IUPAC1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(C=CC(=O)N2CCN(C3CCCCC3)CC2)cc(OC)c1
InChIInChI=1S/C21H30N2O3/c1-25-19-14-17(15-20(16-19)26-2)8-9-21(24)23-12-10-22(11-13-23)18-6-4-3-5-7-18/h8-9,14-16,18H,3-7,10-13H2,1-2H3
InChIKeySXENZTRDYVDRNN-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.19
Rot. Bonds5

About 1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one

1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one (PubChem CID 69022770) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one
PubChem CID69022770
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(C=CC(=O)N2CCN(C3CCCCC3)CC2)cc(OC)c1
InChIInChI=1S/C21H30N2O3/c1-25-19-14-17(15-20(16-19)26-2)8-9-21(24)23-12-10-22(11-13-23)18-6-4-3-5-7-18/h8-9,14-16,18H,3-7,10-13H2,1-2H3
InChIKeySXENZTRDYVDRNN-UHFFFAOYSA-N
XLogP3.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 86014183
1-[3-(3,5-dimethoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 126794677
(E)-1-(4-cyclopentylpiperazin-1-yl)-3-(4-propoxyphenyl)prop-2-en-1-one
CID 55774520
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929
cyclohexyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 52540229
(E)-3-(3,5-dimethoxyphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 8967264
(Z)-1-(4-cyclohexylpiperazin-1-yl)-3-[3-(1-hydroxyethyl)-2-methoxyphenyl]prop-2-en-1-one
CID 89134564
(E)-3-(3,5-dimethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 46569965
3-(2-chloro-3,4-dimethoxyphenyl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one
CID 69021660
(E)-1-[4-(4-cyclopentylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 134020859
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 773630

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one (CID 69022770) is 1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one is COc1cc(C=CC(=O)N2CCN(C3CCCCC3)CC2)cc(OC)c1.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one?
The InChIKey is SXENZTRDYVDRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-25-19-14-17(15-20(16-19)26-2)8-9-21(24)23-12-10-22(11-13-23)18-6-4-3-5-7-18/h8-9,14-16,18H,3-7,10-13H2,1-2H3.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one?
1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one has a molecular weight of 358.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 69022770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).