N-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide

C14H20ClN3O — CID 17186510

IUPACN-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1CCN(C)CC1
InChIInChI=1S/C14H20ClN3O/c1-11-3-4-12(15)9-13(11)16-14(19)10-18-7-5-17(2)6-8-18/h3-4,9H,5-8,10H2,1-2H3,(H,16,19)
InChIKeySRQVUJHQYJCDNR-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.83
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 17186510) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID17186510
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1CCN(C)CC1
InChIInChI=1S/C14H20ClN3O/c1-11-3-4-12(15)9-13(11)16-14(19)10-18-7-5-17(2)6-8-18/h3-4,9H,5-8,10H2,1-2H3,(H,16,19)
InChIKeySRQVUJHQYJCDNR-UHFFFAOYSA-N
XLogP1.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide (CID 17186510) is N-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide is Cc1ccc(Cl)cc1NC(=O)CN1CCN(C)CC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is SRQVUJHQYJCDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-11-3-4-12(15)9-13(11)16-14(19)10-18-7-5-17(2)6-8-18/h3-4,9H,5-8,10H2,1-2H3,(H,16,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 281.79 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 17186510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).