N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide

C22H28N4O2 — CID 134006341

IUPACN-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-17-4-3-5-19(14-17)16-25-10-12-26(13-11-25)22(28)24-15-18-6-8-20(9-7-18)21(27)23-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyNTRSONUETSTLCL-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.38
Rot. Bonds5

About N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide

N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 134006341) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID134006341
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-17-4-3-5-19(14-17)16-25-10-12-26(13-11-25)22(28)24-15-18-6-8-20(9-7-18)21(27)23-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyNTRSONUETSTLCL-UHFFFAOYSA-N
XLogP2.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106920
N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 8597810
4-[[[C-(4-benzylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-methylbenzamide
CID 110959433
N-[2-(4-chlorophenyl)ethyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106832
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-[(3-methylphenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119063808
4-[2-(4-chlorophenyl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106931
N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide
CID 23855406
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 121497168
N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55809558
4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 119058857

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide (CID 134006341) is N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide is CNC(=O)c1ccc(CNC(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1.
What is the InChIKey of N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is NTRSONUETSTLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17-4-3-5-19(14-17)16-25-10-12-26(13-11-25)22(28)24-15-18-6-8-20(9-7-18)21(27)23-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 134006341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).