1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide

C20H29N3O5 — CID 108974224

IUPAC1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2(C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)CC1
InChIInChI=1S/C20H29N3O5/c1-5-22-8-10-23(11-9-22)19(25)20(6-7-20)18(24)21-14-12-15(26-2)17(28-4)16(13-14)27-3/h12-13H,5-11H2,1-4H3,(H,21,24)
InChIKeyGXWGAEABCLYJPV-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.60
Rot. Bonds7

About 1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide

1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 108974224) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID108974224
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Name1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2(C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)CC1
InChIInChI=1S/C20H29N3O5/c1-5-22-8-10-23(11-9-22)19(25)20(6-7-20)18(24)21-14-12-15(26-2)17(28-4)16(13-14)27-3/h12-13H,5-11H2,1-4H3,(H,21,24)
InChIKeyGXWGAEABCLYJPV-UHFFFAOYSA-N
XLogP1.60
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichlorophenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974230
N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974233
N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974195
N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974020
N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974203
1-(4-ethylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108974193
1-N'-benzyl-1-N'-methyl-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975615
N-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974129
1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 65464390
4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866656
1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983639
1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 108974104

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide (CID 108974224) is 1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide is CCN1CCN(C(=O)C2(C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is GXWGAEABCLYJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-5-22-8-10-23(11-9-22)19(25)20(6-7-20)18(24)21-14-12-15(26-2)17(28-4)16(13-14)27-3/h12-13H,5-11H2,1-4H3,(H,21,24).
What are the key properties of 1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108974224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).