N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide

C20H25N3O2 — CID 108990100

IUPACN-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(c2ccccc2OC)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-3-23(17-9-5-4-6-10-17)20(24)22-15-13-21(14-16-22)18-11-7-8-12-19(18)25-2/h4-12H,3,13-16H2,1-2H3
InChIKeyHUAJGDYYDGKOTG-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.46
Rot. Bonds4

About N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide

N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 108990100) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide
PubChem CID108990100
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(c2ccccc2OC)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-3-23(17-9-5-4-6-10-17)20(24)22-15-13-21(14-16-22)18-11-7-8-12-19(18)25-2/h4-12H,3,13-16H2,1-2H3
InChIKeyHUAJGDYYDGKOTG-UHFFFAOYSA-N
XLogP3.46
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N,4-diphenylpiperazine-1-carboxamide
CID 108989539
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108520976
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123983
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 56922329
2-isocyano-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 12017077
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
N-[4-(diethylamino)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530576
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide (CID 108990100) is N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide is CCN(C(=O)N1CCN(c2ccccc2OC)CC1)c1ccccc1.
What is the InChIKey of N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is HUAJGDYYDGKOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-23(17-9-5-4-6-10-17)20(24)22-15-13-21(14-16-22)18-11-7-8-12-19(18)25-2/h4-12H,3,13-16H2,1-2H3.
What are the key properties of N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide?
N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 108990100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).