2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

C20H25N3O — CID 41335038

IUPAC2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)CN(C)c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O/c1-17-7-6-10-19(15-17)22-11-13-23(14-12-22)20(24)16-21(2)18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeyYFBXMZIDDNPNGZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.78
Rot. Bonds4

About 2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 41335038) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
PubChem CID41335038
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)CN(C)c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O/c1-17-7-6-10-19(15-17)22-11-13-23(14-12-22)20(24)16-21(2)18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeyYFBXMZIDDNPNGZ-UHFFFAOYSA-N
XLogP2.78
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113176706
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 39073649
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164005
N-(2-methylphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113167320
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(1-methylpyrrol-2-yl)propan-1-one
CID 110700701
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(N-ethyl-3-methylanilino)ethanone
CID 109004395
N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108988839
N-tert-butyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 113152890
N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159467

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (CID 41335038) is 2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)CN(C)c3ccccc3)CC2)c1.
What is the InChIKey of 2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is YFBXMZIDDNPNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-17-7-6-10-19(15-17)22-11-13-23(14-12-22)20(24)16-21(2)18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 323.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 41335038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).