1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide

C20H29N3O3 — CID 108974104

IUPAC1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2(C(=O)NCCc3cccc(OC)c3)CC2)CC1
InChIInChI=1S/C20H29N3O3/c1-3-22-11-13-23(14-12-22)19(25)20(8-9-20)18(24)21-10-7-16-5-4-6-17(15-16)26-2/h4-6,15H,3,7-14H2,1-2H3,(H,21,24)
InChIKeyPUPFPQZZVUYCDV-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.30
Rot. Bonds7

About 1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide

1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 108974104) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID108974104
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2(C(=O)NCCc3cccc(OC)c3)CC2)CC1
InChIInChI=1S/C20H29N3O3/c1-3-22-11-13-23(14-12-22)19(25)20(8-9-20)18(24)21-10-7-16-5-4-6-17(15-16)26-2/h4-6,15H,3,7-14H2,1-2H3,(H,21,24)
InChIKeyPUPFPQZZVUYCDV-UHFFFAOYSA-N
XLogP1.30
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974114
1-N'-(2,6-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977671
1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977692
1-(4-acetylpiperazine-1-carbonyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108974430
1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119711038
1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115184171
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977669
1-N-[2-(3-methoxyphenyl)ethyl]-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977662
1-N'-(2-methoxyphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977694

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide (CID 108974104) is 1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide is CCN1CCN(C(=O)C2(C(=O)NCCc3cccc(OC)c3)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is PUPFPQZZVUYCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-22-11-13-23(14-12-22)19(25)20(8-9-20)18(24)21-10-7-16-5-4-6-17(15-16)26-2/h4-6,15H,3,7-14H2,1-2H3,(H,21,24).
What are the key properties of 1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108974104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).