N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide

C15H22ClN3O — CID 63872575

IUPACN-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)NCc2ccccc2Cl)CC(C)N1
InChIInChI=1S/C15H22ClN3O/c1-11-8-19(9-12(2)18-11)10-15(20)17-7-13-5-3-4-6-14(13)16/h3-6,11-12,18H,7-10H2,1-2H3,(H,17,20)
InChIKeyITUAHZSRVLKOQM-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.64
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide (PubChem CID 63872575) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide
PubChem CID63872575
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)NCc2ccccc2Cl)CC(C)N1
InChIInChI=1S/C15H22ClN3O/c1-11-8-19(9-12(2)18-11)10-15(20)17-7-13-5-3-4-6-14(13)16/h3-6,11-12,18H,7-10H2,1-2H3,(H,17,20)
InChIKeyITUAHZSRVLKOQM-UHFFFAOYSA-N
XLogP1.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495926
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 62062007
N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 55064418
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773522
N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609
N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide
CID 171335089
2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide
CID 63873526
N-[(2-chlorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190221
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 2455653
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
N-[(2-chlorophenyl)methyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266447
N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34732047

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide (CID 63872575) is N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide is CC1CN(CC(=O)NCc2ccccc2Cl)CC(C)N1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide?
The InChIKey is ITUAHZSRVLKOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-11-8-19(9-12(2)18-11)10-15(20)17-7-13-5-3-4-6-14(13)16/h3-6,11-12,18H,7-10H2,1-2H3,(H,17,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide has a molecular weight of 295.81 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 63872575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).