N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide

C20H23N3O3 — CID 654481

IUPACN-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C20H23N3O3/c1-15(24)21-17-9-7-16(8-10-17)20(25)23-13-11-22(12-14-23)18-5-3-4-6-19(18)26-2/h3-10H,11-14H2,1-2H3,(H,21,24)
InChIKeyZMISAIPMKMAOHU-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.62
Rot. Bonds4

About N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide

N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 654481) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID654481
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C20H23N3O3/c1-15(24)21-17-9-7-16(8-10-17)20(25)23-13-11-22(12-14-23)18-5-3-4-6-19(18)26-2/h3-10H,11-14H2,1-2H3,(H,21,24)
InChIKeyZMISAIPMKMAOHU-UHFFFAOYSA-N
XLogP2.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide (CID 654481) is N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide is COc1ccccc1N1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is ZMISAIPMKMAOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15(24)21-17-9-7-16(8-10-17)20(25)23-13-11-22(12-14-23)18-5-3-4-6-19(18)26-2/h3-10H,11-14H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 654481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).