N-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C18H21ClN4O — CID 4883329

IUPACN-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)c(Cl)c1
InChIInChI=1S/C18H21ClN4O/c1-14-5-6-16(15(19)12-14)21-18(24)13-22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKeyBJMZWRLRGQIFCQ-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.80
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 4883329) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID4883329
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)c(Cl)c1
InChIInChI=1S/C18H21ClN4O/c1-14-5-6-16(15(19)12-14)21-18(24)13-22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKeyBJMZWRLRGQIFCQ-UHFFFAOYSA-N
XLogP2.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 4883329) is N-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is Cc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is BJMZWRLRGQIFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-14-5-6-16(15(19)12-14)21-18(24)13-22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,24).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 344.85 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4883329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).