4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide

C21H26N4O3 — CID 86995002

IUPAC4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O3/c1-22-20(26)17-8-9-19(28-2)18(14-17)23-21(27)25-12-10-24(11-13-25)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyZDEXQQYQCKAQNY-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.40
Rot. Bonds5

About 4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide

4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide (PubChem CID 86995002) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
PubChem CID86995002
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O3/c1-22-20(26)17-8-9-19(28-2)18(14-17)23-21(27)25-12-10-24(11-13-25)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyZDEXQQYQCKAQNY-UHFFFAOYSA-N
XLogP2.40
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 86995011
N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108510
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide
CID 44892029
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
CID 118771356
methyl 4-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 47039900
methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 59740832
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 118760794
4-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 24612351
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
CID 23766923

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide (CID 86995002) is 4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide is CNC(=O)c1ccc(OC)c(NC(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide?
The InChIKey is ZDEXQQYQCKAQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-22-20(26)17-8-9-19(28-2)18(14-17)23-21(27)25-12-10-24(11-13-25)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide?
4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 86995002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).