N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide

C15H20FN3O2 — CID 80710716

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCN(CC(N)=O)CC2)c1F
InChIInChI=1S/C15H20FN3O2/c1-10-3-2-4-12(14(10)16)15(21)18-11-5-7-19(8-6-11)9-13(17)20/h2-4,11H,5-9H2,1H3,(H2,17,20)(H,18,21)
InChIKeyKTUWGHXJTPLTEA-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.81
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide (PubChem CID 80710716) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
PubChem CID80710716
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCN(CC(N)=O)CC2)c1F
InChIInChI=1S/C15H20FN3O2/c1-10-3-2-4-12(14(10)16)15(21)18-11-5-7-19(8-6-11)9-13(17)20/h2-4,11H,5-9H2,1H3,(H2,17,20)(H,18,21)
InChIKeyKTUWGHXJTPLTEA-UHFFFAOYSA-N
XLogP0.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide
CID 134047765
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63627169
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 80710472
N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide
CID 81481989
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide
CID 134047526
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193
N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 87017011
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide (CID 80710716) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NC2CCN(CC(N)=O)CC2)c1F.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide?
The InChIKey is KTUWGHXJTPLTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10-3-2-4-12(14(10)16)15(21)18-11-5-7-19(8-6-11)9-13(17)20/h2-4,11H,5-9H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide has a molecular weight of 293.34 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80710716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).