N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide

C23H26N4O — CID 51323012

IUPACN-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide
SMILESCc1cc(N2CCN(CC(=O)NCc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C23H26N4O/c1-18-15-22(25-21-10-6-5-9-20(18)21)27-13-11-26(12-14-27)17-23(28)24-16-19-7-3-2-4-8-19/h2-10,15H,11-14,16-17H2,1H3,(H,24,28)
InChIKeyQOCXSQTXCCCSJQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.98
Rot. Bonds5

About N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide (PubChem CID 51323012) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide
PubChem CID51323012
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide
SMILESCc1cc(N2CCN(CC(=O)NCc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C23H26N4O/c1-18-15-22(25-21-10-6-5-9-20(18)21)27-13-11-26(12-14-27)17-23(28)24-16-19-7-3-2-4-8-19/h2-10,15H,11-14,16-17H2,1H3,(H,24,28)
InChIKeyQOCXSQTXCCCSJQ-UHFFFAOYSA-N
XLogP2.98
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide
CID 134017909
N-benzyl-2-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]acetamide
CID 134006985
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246
N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 75391386
N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133433117
3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765024
2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166224
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride
CID 45370344
N-benzyl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 24607580
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide (CID 51323012) is N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide is Cc1cc(N2CCN(CC(=O)NCc3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is QOCXSQTXCCCSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-18-15-22(25-21-10-6-5-9-20(18)21)27-13-11-26(12-14-27)17-23(28)24-16-19-7-3-2-4-8-19/h2-10,15H,11-14,16-17H2,1H3,(H,24,28).
What are the key properties of N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 51323012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).