4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide

C20H25N3O — CID 6470727

IUPAC4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-17-8-10-19(11-9-17)21-20(24)23-14-12-22(13-15-23)16-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,21,24)
InChIKeyFZPGLRORUCDASH-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.60
Rot. Bonds4

About 4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide

4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide (PubChem CID 6470727) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
PubChem CID6470727
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-17-8-10-19(11-9-17)21-20(24)23-14-12-22(13-15-23)16-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,21,24)
InChIKeyFZPGLRORUCDASH-UHFFFAOYSA-N
XLogP3.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 47039900
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140895054
4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
CID 60545892
1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
CID 175260722
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901
N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104950
4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide
CID 108869729
4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 67037713
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293524
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide (CID 6470727) is 4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is FZPGLRORUCDASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-17-8-10-19(11-9-17)21-20(24)23-14-12-22(13-15-23)16-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,21,24).
What are the key properties of 4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide?
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 6470727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).