4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride

C17H27Cl3N4O2 — CID 120565211

IUPAC4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.Cl.Cl
InChIInChI=1S/C17H25ClN4O2.2ClH/c1-13(19)2-7-16(23)20-12-17(24)22-10-8-21(9-11-22)15-5-3-14(18)4-6-15;;/h3-6,13H,2,7-12,19H2,1H3,(H,20,23);2*1H
InChIKeyLBWFCSKKTWJRKL-UHFFFAOYSA-N
MW425.79 g/mol
LogP2.08
Rot. Bonds6

About 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride

4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride (PubChem CID 120565211) has the molecular formula C17H27Cl3N4O2 and a molecular weight of 425.79 g/mol. Its IUPAC name is 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride
PubChem CID120565211
Molecular FormulaC17H27Cl3N4O2
Molecular Weight425.79 g/mol
Exact Mass424.12
IUPAC Name4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.Cl.Cl
InChIInChI=1S/C17H25ClN4O2.2ClH/c1-13(19)2-7-16(23)20-12-17(24)22-10-8-21(9-11-22)15-5-3-14(18)4-6-15;;/h3-6,13H,2,7-12,19H2,1H3,(H,20,23);2*1H
InChIKeyLBWFCSKKTWJRKL-UHFFFAOYSA-N
XLogP2.08
TPSA78.67 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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119871517
7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide
CID 119871471
N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 51131186
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide
CID 51103918
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119871496
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
3-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119874784
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide
CID 120596278
4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120564149
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride (CID 120565211) is 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride?
The InChIKey is LBWFCSKKTWJRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2.2ClH/c1-13(19)2-7-16(23)20-12-17(24)22-10-8-21(9-11-22)15-5-3-14(18)4-6-15;;/h3-6,13H,2,7-12,19H2,1H3,(H,20,23);2*1H.
What are the key properties of 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride?
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride has a molecular weight of 425.79 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120565211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).