2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide

C15H21ClFN3O — CID 120774607

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide
SMILESCC1(C)CN(CC(=O)Nc2cc(Cl)ccc2F)CCC1N
InChIInChI=1S/C15H21ClFN3O/c1-15(2)9-20(6-5-13(15)18)8-14(21)19-12-7-10(16)3-4-11(12)17/h3-4,7,13H,5-6,8-9,18H2,1-2H3,(H,19,21)
InChIKeyGFGPKZGLSHBLSU-UHFFFAOYSA-N
MW313.80 g/mol
LogP2.48
Rot. Bonds3

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide (PubChem CID 120774607) has the molecular formula C15H21ClFN3O and a molecular weight of 313.80 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide
PubChem CID120774607
Molecular FormulaC15H21ClFN3O
Molecular Weight313.80 g/mol
Exact Mass313.14
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide
SMILESCC1(C)CN(CC(=O)Nc2cc(Cl)ccc2F)CCC1N
InChIInChI=1S/C15H21ClFN3O/c1-15(2)9-20(6-5-13(15)18)8-14(21)19-12-7-10(16)3-4-11(12)17/h3-4,7,13H,5-6,8-9,18H2,1-2H3,(H,19,21)
InChIKeyGFGPKZGLSHBLSU-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 120776716
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(5-chloro-2-fluorophenyl)acetamide
CID 11940458
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 120775661
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 120776678
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride
CID 120775821
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505319
tert-butyl N-[1-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]piperidin-4-yl]carbamate
CID 60512994
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120776067
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 120776425
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119933718
N-(5-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801664

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide (CID 120774607) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide is CC1(C)CN(CC(=O)Nc2cc(Cl)ccc2F)CCC1N.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide?
The InChIKey is GFGPKZGLSHBLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN3O/c1-15(2)9-20(6-5-13(15)18)8-14(21)19-12-7-10(16)3-4-11(12)17/h3-4,7,13H,5-6,8-9,18H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide has a molecular weight of 313.80 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide is sourced from PubChem (CID 120774607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).