N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide

C21H27N3O2 — CID 6465919

IUPACN-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C21H27N3O2/c1-16-4-7-18(8-5-16)15-23-10-12-24(13-11-23)21(25)22-19-14-17(2)6-9-20(19)26-3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)
InChIKeyBYAROZBUYSBGKB-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.66
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide

N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 6465919) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID6465919
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C21H27N3O2/c1-16-4-7-18(8-5-16)15-23-10-12-24(13-11-23)21(25)22-19-14-17(2)6-9-20(19)26-3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)
InChIKeyBYAROZBUYSBGKB-UHFFFAOYSA-N
XLogP3.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6466682
4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113109129
4-[(4-methylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113107087
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 33073903
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 55696263
4-[2-(cyclohexen-1-yl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113104742
N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185489
1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609182
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 86995002
4-[2-(2-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113108977
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 45015995

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide (CID 6465919) is N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide is COc1ccc(C)cc1NC(=O)N1CCN(Cc2ccc(C)cc2)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is BYAROZBUYSBGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-4-7-18(8-5-16)15-23-10-12-24(13-11-23)21(25)22-19-14-17(2)6-9-20(19)26-3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 6465919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).