4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide

C24H33N3O4 — CID 19357201

IUPAC4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(c2cc(OC)cc(OC)c2)CC1)c1cc(C)c(C)cc1OC
InChIInChI=1S/C24H33N3O4/c1-7-27(22-12-17(2)18(3)13-23(22)31-6)24(28)26-10-8-25(9-11-26)19-14-20(29-4)16-21(15-19)30-5/h12-16H,7-11H2,1-6H3
InChIKeyZNDJLGZBSKZXSW-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.10
Rot. Bonds6

About 4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide

4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 19357201) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID19357201
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(c2cc(OC)cc(OC)c2)CC1)c1cc(C)c(C)cc1OC
InChIInChI=1S/C24H33N3O4/c1-7-27(22-12-17(2)18(3)13-23(22)31-6)24(28)26-10-8-25(9-11-26)19-14-20(29-4)16-21(15-19)30-5/h12-16H,7-11H2,1-6H3
InChIKeyZNDJLGZBSKZXSW-UHFFFAOYSA-N
XLogP4.10
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide
CID 23446282
N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide
CID 108990100
N-ethyl-N,4-diphenylpiperazine-1-carboxamide
CID 108989539
1-(3,5-dimethoxyphenyl)-4-ethylpiperazine
CID 143598581
4-(3,5-dimethoxyphenyl)-N-[5-(1-hydroxyethyl)-2-methoxy-4-methylphenyl]piperazine-1-carbothioamide
CID 54496252
2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide
CID 69033368
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone
CID 142695591
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 2197299
4-(3,5-dimethoxyphenyl)-N-(3-methoxyquinoxalin-2-yl)-N-methylpiperazine-1-carboxamide
CID 54154885
ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone
CID 142419477
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 113080341
1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 155484090

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide (CID 19357201) is 4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide is CCN(C(=O)N1CCN(c2cc(OC)cc(OC)c2)CC1)c1cc(C)c(C)cc1OC.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is ZNDJLGZBSKZXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-7-27(22-12-17(2)18(3)13-23(22)31-6)24(28)26-10-8-25(9-11-26)19-14-20(29-4)16-21(15-19)30-5/h12-16H,7-11H2,1-6H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide?
4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 19357201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).