2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride

C19H29Cl3N4O3 — CID 120799779

IUPAC2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CCOCC1
InChIInChI=1S/C19H27ClN4O3.2ClH/c20-15-2-1-3-16(12-15)23-6-8-24(9-7-23)17(25)13-22-19(26)18(21)14-4-10-27-11-5-14;;/h1-3,12,14,18H,4-11,13,21H2,(H,22,26);2*1H
InChIKeyXGRSCHNUTGLREJ-UHFFFAOYSA-N
MW467.83 g/mol
LogP1.70
Rot. Bonds5

About 2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120799779) has the molecular formula C19H29Cl3N4O3 and a molecular weight of 467.83 g/mol. Its IUPAC name is 2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120799779
Molecular FormulaC19H29Cl3N4O3
Molecular Weight467.83 g/mol
Exact Mass466.13
IUPAC Name2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CCOCC1
InChIInChI=1S/C19H27ClN4O3.2ClH/c20-15-2-1-3-16(12-15)23-6-8-24(9-7-23)17(25)13-22-19(26)18(21)14-4-10-27-11-5-14;;/h1-3,12,14,18H,4-11,13,21H2,(H,22,26);2*1H
InChIKeyXGRSCHNUTGLREJ-UHFFFAOYSA-N
XLogP1.70
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.83
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride with MolForge

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Related Compounds

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
3-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119874784
2-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(oxan-4-yl)acetamide
CID 120799806
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119874775
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120784240
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide
CID 113097802
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 112994499
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
2-amino-2-(oxan-4-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone;dihydrochloride
CID 120796843
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone
CID 108994268
[4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120937747

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120799779) is 2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride is Cl.Cl.NC(C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is XGRSCHNUTGLREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O3.2ClH/c20-15-2-1-3-16(12-15)23-6-8-24(9-7-23)17(25)13-22-19(26)18(21)14-4-10-27-11-5-14;;/h1-3,12,14,18H,4-11,13,21H2,(H,22,26);2*1H.
What are the key properties of 2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 467.83 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120799779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).