N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C17H27Cl3N4O2 — CID 119871496

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.Cl.Cl
InChIInChI=1S/C17H25ClN4O2.2ClH/c1-13(11-19-2)17(24)20-12-16(23)22-9-7-21(8-10-22)15-5-3-14(18)4-6-15;;/h3-6,13,19H,7-12H2,1-2H3,(H,20,24);2*1H
InChIKeyAHEFRPVUWBMMTI-UHFFFAOYSA-N
MW425.79 g/mol
LogP1.80
Rot. Bonds6

About N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119871496) has the molecular formula C17H27Cl3N4O2 and a molecular weight of 425.79 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119871496
Molecular FormulaC17H27Cl3N4O2
Molecular Weight425.79 g/mol
Exact Mass424.12
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.Cl.Cl
InChIInChI=1S/C17H25ClN4O2.2ClH/c1-13(11-19-2)17(24)20-12-16(23)22-9-7-21(8-10-22)15-5-3-14(18)4-6-15;;/h3-6,13,19H,7-12H2,1-2H3,(H,20,24);2*1H
InChIKeyAHEFRPVUWBMMTI-UHFFFAOYSA-N
XLogP1.80
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.79
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119874775
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride
CID 120565211
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide
CID 51103918
N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 51131186
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119871517
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119872748
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide
CID 119871471
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119826867
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902213
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide
CID 120596278

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119871496) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.Cl.Cl.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is AHEFRPVUWBMMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2.2ClH/c1-13(11-19-2)17(24)20-12-16(23)22-9-7-21(8-10-22)15-5-3-14(18)4-6-15;;/h3-6,13,19H,7-12H2,1-2H3,(H,20,24);2*1H.
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 425.79 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119871496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).