N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide

C19H27Cl2N3O2 — CID 9287009

IUPACN-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
SMILESC[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N(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)/t12-,13-,14+/m0/s1
InChIKeyVPAYULDSSKDKSC-MELADBBJSA-N
MW400.35 g/mol
LogP4.04
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide

N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide (PubChem CID 9287009) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
PubChem CID9287009
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC NameN-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
SMILESC[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N(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)/t12-,13-,14+/m0/s1
InChIKeyVPAYULDSSKDKSC-MELADBBJSA-N
XLogP4.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium
CID 9287008
2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286372
2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366251
N-(3,4-diethoxyphenyl)-2-[[(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
CID 11937853
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 4824924
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-(2,6-dichlorophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 115577163
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697996
2-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 55411232
N-(2,6-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 51167321

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide (CID 9287009) is N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide is C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N(C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide?
The InChIKey is VPAYULDSSKDKSC-MELADBBJSA-N. 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)/t12-,13-,14+/m0/s1.
What are the key properties of N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide?
N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide has a molecular weight of 400.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide is sourced from PubChem (CID 9287009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).