2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide

C14H19ClFN3O — CID 60801937

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
SMILESNC(=O)CN(Cc1c(F)cccc1Cl)C1CCNCC1
InChIInChI=1S/C14H19ClFN3O/c15-12-2-1-3-13(16)11(12)8-19(9-14(17)20)10-4-6-18-7-5-10/h1-3,10,18H,4-9H2,(H2,17,20)
InChIKeyYISFYZYTBCPOPC-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.52
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide

2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide (PubChem CID 60801937) has the molecular formula C14H19ClFN3O and a molecular weight of 299.78 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
PubChem CID60801937
Molecular FormulaC14H19ClFN3O
Molecular Weight299.78 g/mol
Exact Mass299.12
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
SMILESNC(=O)CN(Cc1c(F)cccc1Cl)C1CCNCC1
InChIInChI=1S/C14H19ClFN3O/c15-12-2-1-3-13(16)11(12)8-19(9-14(17)20)10-4-6-18-7-5-10/h1-3,10,18H,4-9H2,(H2,17,20)
InChIKeyYISFYZYTBCPOPC-UHFFFAOYSA-N
XLogP1.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 60806803
2-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
CID 103038748
ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
CID 60697155
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119267724
2-(2-chloro-6-fluorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 43602048
N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide
CID 60802278
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17489433
2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
CID 107118948
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 114930841
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119682888
1-[(2-chloro-6-fluorophenyl)methyl-[(3S)-pyrrolidin-3-yl]amino]-2-methylpropan-2-ol;2,3-dihydroxybutanedioic acid
CID 69060498
N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide
CID 104974489

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide (CID 60801937) is 2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide is NC(=O)CN(Cc1c(F)cccc1Cl)C1CCNCC1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide?
The InChIKey is YISFYZYTBCPOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O/c15-12-2-1-3-13(16)11(12)8-19(9-14(17)20)10-4-6-18-7-5-10/h1-3,10,18H,4-9H2,(H2,17,20).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide?
2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide has a molecular weight of 299.78 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide is sourced from PubChem (CID 60801937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).