N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide

C22H29N3O — CID 113111919

IUPACN-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3ccccc3C(C)C)CC2)c1C
InChIInChI=1S/C22H29N3O/c1-16(2)19-9-5-6-11-21(19)24-12-14-25(15-13-24)22(26)23-20-10-7-8-17(3)18(20)4/h5-11,16H,12-15H2,1-4H3,(H,23,26)
InChIKeyHDAOWCZXWKWIBZ-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.78
Rot. Bonds3

About N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide

N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 113111919) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID113111919
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3ccccc3C(C)C)CC2)c1C
InChIInChI=1S/C22H29N3O/c1-16(2)19-9-5-6-11-21(19)24-12-14-25(15-13-24)22(26)23-20-10-7-8-17(3)18(20)4/h5-11,16H,12-15H2,1-4H3,(H,23,26)
InChIKeyHDAOWCZXWKWIBZ-UHFFFAOYSA-N
XLogP4.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111461
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-propan-2-ylanilino)ethanone
CID 109004243
N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112535
N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112277
N-(2,3-dimethylphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111604
4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112333
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108532341
4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide
CID 23821172
4-(1,3-benzodioxol-5-yl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 113111952
N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide
CID 123680742
methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111137

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide (CID 113111919) is N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(c3ccccc3C(C)C)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is HDAOWCZXWKWIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16(2)19-9-5-6-11-21(19)24-12-14-25(15-13-24)22(26)23-20-10-7-8-17(3)18(20)4/h5-11,16H,12-15H2,1-4H3,(H,23,26).
What are the key properties of N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).