N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide

C20H29N5O2 — CID 90561867

IUPACN-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(CCn2ccnc2CC)CC1
InChIInChI=1S/C20H29N5O2/c1-3-19-21-9-10-24(19)14-11-23-12-15-25(16-13-23)20(26)22-17-7-5-6-8-18(17)27-4-2/h5-10H,3-4,11-16H2,1-2H3,(H,22,26)
InChIKeyGWXSNJUQJFQCNN-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.69
Rot. Bonds7

About N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide

N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide (PubChem CID 90561867) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
PubChem CID90561867
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(CCn2ccnc2CC)CC1
InChIInChI=1S/C20H29N5O2/c1-3-19-21-9-10-24(19)14-11-23-12-15-25(16-13-23)20(26)22-17-7-5-6-8-18(17)27-4-2/h5-10H,3-4,11-16H2,1-2H3,(H,22,26)
InChIKeyGWXSNJUQJFQCNN-UHFFFAOYSA-N
XLogP2.69
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494087
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 90561851
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 90561852
N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561847
N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533896
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-(4-butoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561886
N-(3,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561850
[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 90561497
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 90561883

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide (CID 90561867) is N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCN(CCn2ccnc2CC)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is GWXSNJUQJFQCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-19-21-9-10-24(19)14-11-23-12-15-25(16-13-23)20(26)22-17-7-5-6-8-18(17)27-4-2/h5-10H,3-4,11-16H2,1-2H3,(H,22,26).
What are the key properties of N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide?
N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 90561867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).