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

C21H27N3O3 — CID 6464385

IUPACN-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccccc3C)CC2)c(OC)c1
InChIInChI=1S/C21H27N3O3/c1-16-6-4-5-7-17(16)15-23-10-12-24(13-11-23)21(25)22-19-9-8-18(26-2)14-20(19)27-3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)
InChIKeyWGSAEXSRQFONBJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.36
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 6464385) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID6464385
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccccc3C)CC2)c(OC)c1
InChIInChI=1S/C21H27N3O3/c1-16-6-4-5-7-17(16)15-23-10-12-24(13-11-23)21(25)22-19-9-8-18(26-2)14-20(19)27-3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)
InChIKeyWGSAEXSRQFONBJ-UHFFFAOYSA-N
XLogP3.36
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990292
4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 71829832
4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methoxy-4-nitrophenyl)piperazine-1-carboxamide
CID 17148609
N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 17217595
N-(2,4-dimethoxyphenyl)-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106186
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112429
N-(5-methoxy-2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 75523527
N-(2,4-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184642
2-(4-methoxyphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 110398838
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
ethyl 2-[[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113108045
4-[2-(cyclohexen-1-yl)ethyl]-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113104746

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide (CID 6464385) is N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(Cc3ccccc3C)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is WGSAEXSRQFONBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-6-4-5-7-17(16)15-23-10-12-24(13-11-23)21(25)22-19-9-8-18(26-2)14-20(19)27-3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 6464385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).