N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide

C21H27N3O3 — CID 113109273

IUPACN-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CCN1CCN(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C21H27N3O3/c1-26-19-9-5-3-7-17(19)11-12-23-13-15-24(16-14-23)21(25)22-18-8-4-6-10-20(18)27-2/h3-10H,11-16H2,1-2H3,(H,22,25)
InChIKeyLYJKJTOIJLCKHE-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.10
Rot. Bonds6

About N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide

N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113109273) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID113109273
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CCN1CCN(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C21H27N3O3/c1-26-19-9-5-3-7-17(19)11-12-23-13-15-24(16-14-23)21(25)22-18-8-4-6-10-20(18)27-2/h3-10H,11-16H2,1-2H3,(H,22,25)
InChIKeyLYJKJTOIJLCKHE-UHFFFAOYSA-N
XLogP3.10
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109297
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
N-(3,4-dimethylphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109251
4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 43252394
N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 110616485
methyl 3-[[4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carbonyl]amino]benzoate
CID 113109289
4-[2-(2-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113108977
N-(1,3-benzodioxol-5-yl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109293
4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113108978
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
ethyl 2-[[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113108045

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide (CID 113109273) is N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide is COc1ccccc1CCN1CCN(C(=O)Nc2ccccc2OC)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is LYJKJTOIJLCKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-19-9-5-3-7-17(19)11-12-23-13-15-24(16-14-23)21(25)22-18-8-4-6-10-20(18)27-2/h3-10H,11-16H2,1-2H3,(H,22,25).
What are the key properties of N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).