N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide

C14H20ClN3O — CID 8896530

IUPACN-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H20ClN3O/c1-17-6-8-18(9-7-17)11-14(19)16-10-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyLMYXMUOBBWAZSP-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.20
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 8896530) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID8896530
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H20ClN3O/c1-17-6-8-18(9-7-17)11-14(19)16-10-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyLMYXMUOBBWAZSP-UHFFFAOYSA-N
XLogP1.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896722
N-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide
CID 167978850
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46162316
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530947
2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 22193970
3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 109018277
N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728803
4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 55840604
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9260239
3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 100590839

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 8896530) is N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is LMYXMUOBBWAZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-17-6-8-18(9-7-17)11-14(19)16-10-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3,(H,16,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 281.79 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8896530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).