4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide

C21H25N3O3 — CID 51115588

IUPAC4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide
SMILESCOCc1ccccc1NC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-16(25)17-7-9-19(10-8-17)23-11-13-24(14-12-23)21(26)22-20-6-4-3-5-18(20)15-27-2/h3-10H,11-15H2,1-2H3,(H,22,26)
InChIKeyOZQVEDIBKFKSFU-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.39
Rot. Bonds5

About 4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide

4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide (PubChem CID 51115588) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide
PubChem CID51115588
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide
SMILESCOCc1ccccc1NC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-16(25)17-7-9-19(10-8-17)23-11-13-24(14-12-23)21(26)22-20-6-4-3-5-18(20)15-27-2/h3-10H,11-15H2,1-2H3,(H,22,26)
InChIKeyOZQVEDIBKFKSFU-UHFFFAOYSA-N
XLogP3.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113114212
(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 94081574
methyl 2-[[4-(4-ethylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113112107
4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114215
N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3824217
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818
4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113111721
methyl 3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropanoate
CID 134069467
ethyl 4-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112754
methyl 4-[4-[(2-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113907
4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 50780340
4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 55835475

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide (CID 51115588) is 4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide is COCc1ccccc1NC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is OZQVEDIBKFKSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(25)17-7-9-19(10-8-17)23-11-13-24(14-12-23)21(26)22-20-6-4-3-5-18(20)15-27-2/h3-10H,11-15H2,1-2H3,(H,22,26).
What are the key properties of 4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide?
4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 51115588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).