prop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate

C19H26N2O5 — CID 108569790

IUPACprop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C19H26N2O5/c1-4-13-26-19(23)21-11-9-20(10-12-21)18(22)8-6-15-5-7-16(24-2)17(14-15)25-3/h4-5,7,14H,1,6,8-13H2,2-3H3
InChIKeyNPOYHASCIQMOLE-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.10
Rot. Bonds7

About prop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate

prop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate (PubChem CID 108569790) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is prop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate
PubChem CID108569790
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Nameprop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C19H26N2O5/c1-4-13-26-19(23)21-11-9-20(10-12-21)18(22)8-6-15-5-7-16(24-2)17(14-15)25-3/h4-5,7,14H,1,6,8-13H2,2-3H3
InChIKeyNPOYHASCIQMOLE-UHFFFAOYSA-N
XLogP2.10
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 110743470
3-(3,4-dimethoxyphenyl)-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547876
1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 108533985
4-[3-(3,4-dimethoxyphenyl)propanoyl]-N,N-diethylpiperazine-1-carboxamide
CID 108569787
3-(3,4-dimethoxyphenyl)-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one
CID 113075310
1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 108536920
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 110803723
1-[4-[3-(3,4-dimethoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 108547888
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 110801591
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 110806425
3-[4-[3-(3,4-dimethoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543378
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 108534070

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate (CID 108569790) is prop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate is C=CCOC(=O)N1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of prop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate?
The InChIKey is NPOYHASCIQMOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-4-13-26-19(23)21-11-9-20(10-12-21)18(22)8-6-15-5-7-16(24-2)17(14-15)25-3/h4-5,7,14H,1,6,8-13H2,2-3H3.
What are the key properties of prop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate?
prop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 108569790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).