N-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide

C16H19Cl2N3O2 — CID 166406805

IUPACN-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H19Cl2N3O2/c1-3-15(22)19(2)11-16(23)21-8-6-20(7-9-21)12-4-5-13(17)14(18)10-12/h3-5,10H,1,6-9,11H2,2H3
InChIKeyWXAORSSGWNFNQJ-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.29
Rot. Bonds4

About N-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide

N-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 166406805) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is N-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID166406805
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC NameN-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H19Cl2N3O2/c1-3-15(22)19(2)11-16(23)21-8-6-20(7-9-21)12-4-5-13(17)14(18)10-12/h3-5,10H,1,6-9,11H2,2H3
InChIKeyWXAORSSGWNFNQJ-UHFFFAOYSA-N
XLogP2.29
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 17217206
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-methylprop-2-enamide
CID 166406509
4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
CID 3323200
1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 143061636
methyl (Z)-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-3-(dimethylamino)prop-2-enoate
CID 6054476
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]ethanone
CID 90605690
2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone
CID 91465258
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 70738213
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 4167422
3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 156723728
1-[4-[2-(4,5-dichloro-2-hydroxy-N-methylanilino)acetyl]piperazin-1-yl]prop-2-en-1-one
CID 170069828
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464624

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide (CID 166406805) is N-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is WXAORSSGWNFNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-3-15(22)19(2)11-16(23)21-8-6-20(7-9-21)12-4-5-13(17)14(18)10-12/h3-5,10H,1,6-9,11H2,2H3.
What are the key properties of N-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 356.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 166406805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).