[2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium

C19H28Cl2N3O2+ — CID 9287008

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium
SMILESC[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H27Cl2N3O2/c1-12-7-5-8-13(2)24(12)19(26)14(3)23(4)11-17(25)22-18-15(20)9-6-10-16(18)21/h6,9-10,12-14H,5,7-8,11H2,1-4H3,(H,22,25)/p+1/t12-,13-,14+/m0/s1
InChIKeyVPAYULDSSKDKSC-MELADBBJSA-O
MW401.36 g/mol
LogP2.62
Rot. Bonds5

About [2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium

[2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium (PubChem CID 9287008) has the molecular formula C19H28Cl2N3O2+ and a molecular weight of 401.36 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium
PubChem CID9287008
Molecular FormulaC19H28Cl2N3O2+
Molecular Weight401.36 g/mol
Exact Mass400.16
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium
SMILESC[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H27Cl2N3O2/c1-12-7-5-8-13(2)24(12)19(26)14(3)23(4)11-17(25)22-18-15(20)9-6-10-16(18)21/h6,9-10,12-14H,5,7-8,11H2,1-4H3,(H,22,25)/p+1/t12-,13-,14+/m0/s1
InChIKeyVPAYULDSSKDKSC-MELADBBJSA-O
XLogP2.62
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium 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

[2-(2-chloroanilino)-2-oxoethyl]-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium
CID 9036594
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8559559
N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
CID 9287009
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium
CID 8767382
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697996
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylazanium
CID 11933173
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium
CID 11938603
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
CID 9036627
[(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 11935738
N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111107084
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium (CID 9287008) is [2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium is C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium?
The InChIKey is VPAYULDSSKDKSC-MELADBBJSA-O. The full InChI is InChI=1S/C19H27Cl2N3O2/c1-12-7-5-8-13(2)24(12)19(26)14(3)23(4)11-17(25)22-18-15(20)9-6-10-16(18)21/h6,9-10,12-14H,5,7-8,11H2,1-4H3,(H,22,25)/p+1/t12-,13-,14+/m0/s1.
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium?
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium has a molecular weight of 401.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 9287008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).