4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide

C21H27N3O2 — CID 113111741

IUPAC4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C21H27N3O2/c1-4-26-20-8-6-5-7-19(20)22-21(25)24-11-9-23(10-12-24)18-14-16(2)13-17(3)15-18/h5-8,13-15H,4,9-12H2,1-3H3,(H,22,25)
InChIKeyOWKHFVNBUQOCCV-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.06
Rot. Bonds4

About 4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide

4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 113111741) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID113111741
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C21H27N3O2/c1-4-26-20-8-6-5-7-19(20)22-21(25)24-11-9-23(10-12-24)18-14-16(2)13-17(3)15-18/h5-8,13-15H,4,9-12H2,1-3H3,(H,22,25)
InChIKeyOWKHFVNBUQOCCV-UHFFFAOYSA-N
XLogP4.06
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113111721
4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113405
N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 47493667
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113699
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 122334873
N-(2,6-dimethylphenyl)-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 90750957
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375427

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide (CID 113111741) is 4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is OWKHFVNBUQOCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-26-20-8-6-5-7-19(20)22-21(25)24-11-9-23(10-12-24)18-14-16(2)13-17(3)15-18/h5-8,13-15H,4,9-12H2,1-3H3,(H,22,25).
What are the key properties of 4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).