[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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Related Compounds

1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid
CID 95484471
1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
CID 119125744
1-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110438011
3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 84575608
(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 25236189
2-[4-[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 120527779
1-(3,4-dimethoxyphenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438039
2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide
CID 2987165
3-(3,4-dimethoxyphenyl)sulfonyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 110408454
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[1-(3,4-dimethoxyphenyl)cyclopentyl]methanone
CID 133125413
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxy-4-methylphenyl)cyclopropyl]methanone;hydrochloride
CID 120805528
1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 108974224

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).