[1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone

C18H26N2O3 — CID 110436742

IUPAC[1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2(c3ccc(OC)c(OC)c3)CC2)CC1
InChIInChI=1S/C18H26N2O3/c1-4-19-9-11-20(12-10-19)17(21)18(7-8-18)14-5-6-15(22-2)16(13-14)23-3/h5-6,13H,4,7-12H2,1-3H3
InChIKeyOQIHAHDQKZUQNJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.90
Rot. Bonds5

About [1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone

[1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 110436742) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is [1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID110436742
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name[1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2(c3ccc(OC)c(OC)c3)CC2)CC1
InChIInChI=1S/C18H26N2O3/c1-4-19-9-11-20(12-10-19)17(21)18(7-8-18)14-5-6-15(22-2)16(13-14)23-3/h5-6,13H,4,7-12H2,1-3H3
InChIKeyOQIHAHDQKZUQNJ-UHFFFAOYSA-N
XLogP1.90
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone (CID 110436742) is [1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2(c3ccc(OC)c(OC)c3)CC2)CC1.
What is the InChIKey of [1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is OQIHAHDQKZUQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-19-9-11-20(12-10-19)17(21)18(7-8-18)14-5-6-15(22-2)16(13-14)23-3/h5-6,13H,4,7-12H2,1-3H3.
What are the key properties of [1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone?
[1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 110436742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).