N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide

C14H17F2N3O2 — CID 60802278

IUPACN-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide
SMILESNC(=O)CN(C(=O)c1c(F)cccc1F)C1CCNCC1
InChIInChI=1S/C14H17F2N3O2/c15-10-2-1-3-11(16)13(10)14(21)19(8-12(17)20)9-4-6-18-7-5-9/h1-3,9,18H,4-8H2,(H2,17,20)
InChIKeyBQTSNVZRERVSPG-UHFFFAOYSA-N
MW297.30 g/mol
LogP0.64
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide

N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide (PubChem CID 60802278) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide
PubChem CID60802278
Molecular FormulaC14H17F2N3O2
Molecular Weight297.30 g/mol
Exact Mass297.13
IUPAC NameN-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide
SMILESNC(=O)CN(C(=O)c1c(F)cccc1F)C1CCNCC1
InChIInChI=1S/C14H17F2N3O2/c15-10-2-1-3-11(16)13(10)14(21)19(8-12(17)20)9-4-6-18-7-5-9/h1-3,9,18H,4-8H2,(H2,17,20)
InChIKeyBQTSNVZRERVSPG-UHFFFAOYSA-N
XLogP0.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 107014678
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
CID 60800351
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide
CID 60799815
N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 60806860
N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide
CID 79213778
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide
CID 60806689
2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
CID 60801937
(E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide
CID 60799814
N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyridine-3-carboxamide
CID 60800355
N-(2-amino-2-oxoethyl)-5-chloro-N-piperidin-4-ylfuran-2-carboxamide
CID 54923700
N-(2-amino-2-oxoethyl)-2-oxo-N-piperidin-4-yl-1,3-dihydroimidazole-4-carboxamide
CID 54923699

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide (CID 60802278) is N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide is NC(=O)CN(C(=O)c1c(F)cccc1F)C1CCNCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide?
The InChIKey is BQTSNVZRERVSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c15-10-2-1-3-11(16)13(10)14(21)19(8-12(17)20)9-4-6-18-7-5-9/h1-3,9,18H,4-8H2,(H2,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide?
N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide has a molecular weight of 297.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 60802278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).