2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

C18H25ClFN3O2 — CID 55739343

IUPAC2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)NCC1CCN(CC(=O)N(C)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H25ClFN3O2/c1-13(24)21-10-14-6-8-23(9-7-14)12-18(25)22(2)11-15-16(19)4-3-5-17(15)20/h3-5,14H,6-12H2,1-2H3,(H,21,24)
InChIKeyRGYWGTVXITZHEW-UHFFFAOYSA-N
MW369.87 g/mol
LogP2.29
Rot. Bonds6

About 2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 55739343) has the molecular formula C18H25ClFN3O2 and a molecular weight of 369.87 g/mol. Its IUPAC name is 2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
PubChem CID55739343
Molecular FormulaC18H25ClFN3O2
Molecular Weight369.87 g/mol
Exact Mass369.16
IUPAC Name2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)NCC1CCN(CC(=O)N(C)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H25ClFN3O2/c1-13(24)21-10-14-6-8-23(9-7-14)12-18(25)22(2)11-15-16(19)4-3-5-17(15)20/h3-5,14H,6-12H2,1-2H3,(H,21,24)
InChIKeyRGYWGTVXITZHEW-UHFFFAOYSA-N
XLogP2.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide
CID 55461829
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919099
2-[4-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-phenylacetamide
CID 31692312
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide
CID 46490768
2-[4-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 39783235
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 120773885
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
1-[(2-chloro-6-fluorophenyl)methyl]-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2-dimethylguanidine
CID 119131674
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119682888
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 119926329
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 119682892
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580

Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (CID 55739343) is 2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is CC(=O)NCC1CCN(CC(=O)N(C)Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is RGYWGTVXITZHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClFN3O2/c1-13(24)21-10-14-6-8-23(9-7-14)12-18(25)22(2)11-15-16(19)4-3-5-17(15)20/h3-5,14H,6-12H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 369.87 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55739343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).