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

C21H27N3O — CID 113111721

IUPAC4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C21H27N3O/c1-4-18-7-5-6-8-20(18)22-21(25)24-11-9-23(10-12-24)19-14-16(2)13-17(3)15-19/h5-8,13-15H,4,9-12H2,1-3H3,(H,22,25)
InChIKeySHNOECIJPWKBED-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.22
Rot. Bonds3

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

4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide (PubChem CID 113111721) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
PubChem CID113111721
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C21H27N3O/c1-4-18-7-5-6-8-20(18)22-21(25)24-11-9-23(10-12-24)19-14-16(2)13-17(3)15-19/h5-8,13-15H,4,9-12H2,1-3H3,(H,22,25)
InChIKeySHNOECIJPWKBED-UHFFFAOYSA-N
XLogP4.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113112062
4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113112068
N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950439
N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3824217
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755
4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 50780340
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111759
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108874
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113075631

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide (CID 113111721) is 4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide is CCc1ccccc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is SHNOECIJPWKBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-4-18-7-5-6-8-20(18)22-21(25)24-11-9-23(10-12-24)19-14-16(2)13-17(3)15-19/h5-8,13-15H,4,9-12H2,1-3H3,(H,22,25).
What are the key properties of 4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide?
4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).