4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide

C20H25N3O2 — CID 6468674

IUPAC4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-2-25-19-11-7-6-10-18(19)21-20(24)23-14-12-22(13-15-23)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,21,24)
InChIKeyBQRWXYAUZNNZIL-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.43
Rot. Bonds5

About 4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide

4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 6468674) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID6468674
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-2-25-19-11-7-6-10-18(19)21-20(24)23-14-12-22(13-15-23)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,21,24)
InChIKeyBQRWXYAUZNNZIL-UHFFFAOYSA-N
XLogP3.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86987229
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide
CID 108869729
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 59740832
4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 60577763
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741
N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442
4-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 24612351
N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561867
N-(2-ethoxyphenyl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464389

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide (CID 6468674) is 4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is BQRWXYAUZNNZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-25-19-11-7-6-10-18(19)21-20(24)23-14-12-22(13-15-23)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,21,24).
What are the key properties of 4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 6468674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).