2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C16H23N3O3 — CID 8904372

IUPAC2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H23N3O3/c1-13(20)19-9-7-18(8-10-19)12-16(21)17-11-14-3-5-15(22-2)6-4-14/h3-6H,7-12H2,1-2H3,(H,17,21)
InChIKeyFKCVZSZXWAFBBT-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.48
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide

2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 8904372) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID8904372
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H23N3O3/c1-13(20)19-9-7-18(8-10-19)12-16(21)17-11-14-3-5-15(22-2)6-4-14/h3-6H,7-12H2,1-2H3,(H,17,21)
InChIKeyFKCVZSZXWAFBBT-UHFFFAOYSA-N
XLogP0.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 51080554
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142
N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride
CID 141035311
4-[2-(benzylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 30940293
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32808855
N-tert-butyl-2-[4-[(4-methoxyphenyl)methylcarbamothioyl]piperazin-1-yl]acetamide
CID 9213736
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9262183
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 75420879
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35228408

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 8904372) is 2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is FKCVZSZXWAFBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-13(20)19-9-7-18(8-10-19)12-16(21)17-11-14-3-5-15(22-2)6-4-14/h3-6H,7-12H2,1-2H3,(H,17,21).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8904372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).