2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide

C23H24N4O2 — CID 3619977

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C23H24N4O2/c1-17-15-21(19-9-5-6-10-20(19)24-17)25-22(28)16-26-11-13-27(14-12-26)23(29)18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,25,28)
InChIKeyOTAAOGOSOMLTGP-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.94
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide

2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide (PubChem CID 3619977) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide
PubChem CID3619977
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C23H24N4O2/c1-17-15-21(19-9-5-6-10-20(19)24-17)25-22(28)16-26-11-13-27(14-12-26)23(29)18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,25,28)
InChIKeyOTAAOGOSOMLTGP-UHFFFAOYSA-N
XLogP2.94
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
1-(2-methylquinolin-4-yl)-3-[2-[4-(quinoline-6-carbonyl)piperazin-1-yl]ethyl]urea
CID 11442740
2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
CID 31375804
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9223352
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 55553446
N-(2-methylquinolin-4-yl)azepane-1-carboxamide
CID 115882563
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide
CID 134006916
N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35204540
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 46569274
4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 27850994
2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 9223624

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide (CID 3619977) is 2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c2ccccc2n1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide?
The InChIKey is OTAAOGOSOMLTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-15-21(19-9-5-6-10-20(19)24-17)25-22(28)16-26-11-13-27(14-12-26)23(29)18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,25,28).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide?
2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide is sourced from PubChem (CID 3619977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).