benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate

C20H28N4O2 — CID 90561830

IUPACbenzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
SMILESCCc1nccn1CCN1CCN(CC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H28N4O2/c1-2-19-21-8-9-24(19)15-14-22-10-12-23(13-11-22)16-20(25)26-17-18-6-4-3-5-7-18/h3-9H,2,10-17H2,1H3
InChIKeyBJZGLKVPUUIKHW-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.81
Rot. Bonds8

About benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate

benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate (PubChem CID 90561830) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
PubChem CID90561830
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Namebenzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
SMILESCCc1nccn1CCN1CCN(CC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H28N4O2/c1-2-19-21-8-9-24(19)15-14-22-10-12-23(13-11-22)16-20(25)26-17-18-6-4-3-5-7-18/h3-9H,2,10-17H2,1H3
InChIKeyBJZGLKVPUUIKHW-UHFFFAOYSA-N
XLogP1.81
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine
CID 91829581
ethyl 4-[2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetyl]piperazine-1-carboxylate
CID 90561718
[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 90561497
benzyl 2-[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]acetate
CID 101385594
1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
CID 90561892
benzyl 3-[1-(2-ethoxy-2-oxoethyl)imidazol-2-yl]propanoate
CID 134434153
N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561773
methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90560846
benzyl 2-(azetidin-1-yl)acetate
CID 140980014
benzyl 2-ethylimidazole-1-carboxylate
CID 23385831
benzyl 2-[4-(2-methylperoxyethyl)-7,10-dipropyl-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 22971865
2-[4-(2-oxo-2-phenylmethoxyethyl)-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 121480439

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate?
The IUPAC name of benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate (CID 90561830) is benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate.
What is the SMILES notation for benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate?
The canonical SMILES for benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate is CCc1nccn1CCN1CCN(CC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate?
The InChIKey is BJZGLKVPUUIKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-2-19-21-8-9-24(19)15-14-22-10-12-23(13-11-22)16-20(25)26-17-18-6-4-3-5-7-18/h3-9H,2,10-17H2,1H3.
What are the key properties of benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate?
benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate has a molecular weight of 356.47 g/mol, XLogP of 1.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate is sourced from PubChem (CID 90561830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).