2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide

C20H25N3O — CID 44768291

IUPAC2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-21(19-10-6-3-7-11-19)20(24)17-23-14-12-22(13-15-23)16-18-8-4-2-5-9-18/h2-11H,12-17H2,1H3
InChIKeyUGVZSHYVBQZSBT-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.47
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide

2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide (PubChem CID 44768291) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
PubChem CID44768291
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-21(19-10-6-3-7-11-19)20(24)17-23-14-12-22(13-15-23)16-18-8-4-2-5-9-18/h2-11H,12-17H2,1H3
InChIKeyUGVZSHYVBQZSBT-UHFFFAOYSA-N
XLogP2.47
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 9129867
N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 78808493
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 3856985
2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide
CID 108516956
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 4818731
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide
CID 143117973
1-(4-benzylpiperazin-1-yl)butan-2-one
CID 22120198
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
2-(4-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 62656804

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide (CID 44768291) is 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide is CN(C(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide?
The InChIKey is UGVZSHYVBQZSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-21(19-10-6-3-7-11-19)20(24)17-23-14-12-22(13-15-23)16-18-8-4-2-5-9-18/h2-11H,12-17H2,1H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide?
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide has a molecular weight of 323.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 44768291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).