4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide

C22H29N3O — CID 113107050

IUPAC4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-16-5-7-20(8-6-16)15-24-9-11-25(12-10-24)22(26)23-21-18(3)13-17(2)14-19(21)4/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26)
InChIKeyMVYACMIODPOFAD-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.27
Rot. Bonds3

About 4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide

4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide (PubChem CID 113107050) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
PubChem CID113107050
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-16-5-7-20(8-6-16)15-24-9-11-25(12-10-24)22(26)23-21-18(3)13-17(2)14-19(21)4/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26)
InChIKeyMVYACMIODPOFAD-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6466682
N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107101
4-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113107875
4-[2-(4-methoxyphenyl)ethyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113109503
4-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113107874
4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113110801
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
2-[[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]amino]benzoic acid
CID 69297960
N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 17249562
4-[(4-methylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113107087
N-(2-chloro-4,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109121
4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104047

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide (CID 113107050) is 4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide is Cc1ccc(CN2CCN(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The InChIKey is MVYACMIODPOFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16-5-7-20(8-6-16)15-24-9-11-25(12-10-24)22(26)23-21-18(3)13-17(2)14-19(21)4/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26).
What are the key properties of 4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113107050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).