N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide

C14H20ClN3O — CID 65448449

IUPACN-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCNC(C)C2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-10-3-4-12(7-13(10)15)17-14(19)9-18-6-5-16-11(2)8-18/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyXHXBHCNBFPKWHL-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.88
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide (PubChem CID 65448449) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
PubChem CID65448449
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCNC(C)C2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-10-3-4-12(7-13(10)15)17-14(19)9-18-6-5-16-11(2)8-18/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyXHXBHCNBFPKWHL-UHFFFAOYSA-N
XLogP1.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924493
N-(3-chlorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976986
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65449046
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976877
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924663
N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976875
2-[(3S)-3-methylpiperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 104977240
N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975276
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119924470
N-(2-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65450158

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide (CID 65448449) is N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide is Cc1ccc(NC(=O)CN2CCNC(C)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The InChIKey is XHXBHCNBFPKWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10-3-4-12(7-13(10)15)17-14(19)9-18-6-5-16-11(2)8-18/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide has a molecular weight of 281.79 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 65448449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).