2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide

C18H28ClN3O — CID 84598668

IUPAC2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(Cl)cc(C)c1CNC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C18H28ClN3O/c1-13-9-15(19)10-14(2)17(13)11-20-16-5-7-22(8-6-16)12-18(23)21(3)4/h9-10,16,20H,5-8,11-12H2,1-4H3
InChIKeyJEJYAHVKQIZCAZ-UHFFFAOYSA-N
MW337.90 g/mol
LogP2.60
Rot. Bonds5

About 2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 84598668) has the molecular formula C18H28ClN3O and a molecular weight of 337.90 g/mol. Its IUPAC name is 2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID84598668
Molecular FormulaC18H28ClN3O
Molecular Weight337.90 g/mol
Exact Mass337.19
IUPAC Name2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(Cl)cc(C)c1CNC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C18H28ClN3O/c1-13-9-15(19)10-14(2)17(13)11-20-16-5-7-22(8-6-16)12-18(23)21(3)4/h9-10,16,20H,5-8,11-12H2,1-4H3
InChIKeyJEJYAHVKQIZCAZ-UHFFFAOYSA-N
XLogP2.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide (CID 84598668) is 2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide is Cc1cc(Cl)cc(C)c1CNC1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is JEJYAHVKQIZCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O/c1-13-9-15(19)10-14(2)17(13)11-20-16-5-7-22(8-6-16)12-18(23)21(3)4/h9-10,16,20H,5-8,11-12H2,1-4H3.
What are the key properties of 2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 337.90 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 84598668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).