N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide

C14H17F2N3O2 — CID 60801397

IUPACN-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide
SMILESNC(=O)CN(C(=O)c1cc(F)ccc1F)C1CCCNC1
InChIInChI=1S/C14H17F2N3O2/c15-9-3-4-12(16)11(6-9)14(21)19(8-13(17)20)10-2-1-5-18-7-10/h3-4,6,10,18H,1-2,5,7-8H2,(H2,17,20)
InChIKeyBKNKWRRKOYSOSI-UHFFFAOYSA-N
MW297.30 g/mol
LogP0.64
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide

N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide (PubChem CID 60801397) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide
PubChem CID60801397
Molecular FormulaC14H17F2N3O2
Molecular Weight297.30 g/mol
Exact Mass297.13
IUPAC NameN-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide
SMILESNC(=O)CN(C(=O)c1cc(F)ccc1F)C1CCCNC1
InChIInChI=1S/C14H17F2N3O2/c15-9-3-4-12(16)11(6-9)14(21)19(8-13(17)20)10-2-1-5-18-7-10/h3-4,6,10,18H,1-2,5,7-8H2,(H2,17,20)
InChIKeyBKNKWRRKOYSOSI-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)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide
CID 60806689
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide
CID 60799815
N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide
CID 60800165
5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide
CID 61110216
5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
CID 63637963
5-fluoro-2-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63050163
N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide
CID 81445654
N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide
CID 60799804
2-[acetyl(piperidin-3-yl)amino]acetamide
CID 60802262
N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 43319379
N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 63391286
5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide
CID 55228435

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide (CID 60801397) is N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide is NC(=O)CN(C(=O)c1cc(F)ccc1F)C1CCCNC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide?
The InChIKey is BKNKWRRKOYSOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c15-9-3-4-12(16)11(6-9)14(21)19(8-13(17)20)10-2-1-5-18-7-10/h3-4,6,10,18H,1-2,5,7-8H2,(H2,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide?
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-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)-2,5-difluoro-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 60801397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).