[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H30N4O4 — CID 90561551

IUPAC[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCc1nccn1CCN1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C21H30N4O4/c1-5-19-22-6-7-24(19)11-8-23-9-12-25(13-10-23)21(26)16-14-17(27-2)20(29-4)18(15-16)28-3/h6-7,14-15H,5,8-13H2,1-4H3
InChIKeyBTDABEXAFCQGBZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.93
Rot. Bonds8

About [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 90561551) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID90561551
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Name[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCc1nccn1CCN1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C21H30N4O4/c1-5-19-22-6-7-24(19)11-8-23-9-12-25(13-10-23)21(26)16-14-17(27-2)20(29-4)18(15-16)28-3/h6-7,14-15H,5,8-13H2,1-4H3
InChIKeyBTDABEXAFCQGBZ-UHFFFAOYSA-N
XLogP1.93
TPSA69.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3,4-difluorophenyl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90561564
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 90561883
[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 90561497
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 90561852
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90561700
ethyl 4-[2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetyl]piperazine-1-carboxylate
CID 90561718
3-chloro-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 90561530
[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975
5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 90561459
N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561867
N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18156802
3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561520

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 90561551) is [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is CCc1nccn1CCN1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is BTDABEXAFCQGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-5-19-22-6-7-24(19)11-8-23-9-12-25(13-10-23)21(26)16-14-17(27-2)20(29-4)18(15-16)28-3/h6-7,14-15H,5,8-13H2,1-4H3.
What are the key properties of [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 402.50 g/mol, XLogP of 1.93, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 90561551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).