N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide

C14H17F2N3O2 — CID 60799815

IUPACN-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide
SMILESNC(=O)CN(C(=O)c1cc(F)ccc1F)C1CCNCC1
InChIInChI=1S/C14H17F2N3O2/c15-9-1-2-12(16)11(7-9)14(21)19(8-13(17)20)10-3-5-18-6-4-10/h1-2,7,10,18H,3-6,8H2,(H2,17,20)
InChIKeyLVFBHPOOPCSPTH-UHFFFAOYSA-N
MW297.30 g/mol
LogP0.64
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide

N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide (PubChem CID 60799815) 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-4-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide
PubChem CID60799815
Molecular FormulaC14H17F2N3O2
Molecular Weight297.30 g/mol
Exact Mass297.13
IUPAC NameN-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide
SMILESNC(=O)CN(C(=O)c1cc(F)ccc1F)C1CCNCC1
InChIInChI=1S/C14H17F2N3O2/c15-9-1-2-12(16)11(7-9)14(21)19(8-13(17)20)10-3-5-18-6-4-10/h1-2,7,10,18H,3-6,8H2,(H2,17,20)
InChIKeyLVFBHPOOPCSPTH-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-3-ylbenzamide
CID 60801397
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
CID 60800351
N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide
CID 60802278
5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide
CID 61110216
N-ethyl-5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115299350
N-ethyl-5-fluoro-2-methyl-N-piperidin-4-ylbenzamide
CID 63048793
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 43319379
N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyridine-3-carboxamide
CID 60800355
N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide
CID 79213778
2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid
CID 107433914

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide (CID 60799815) is N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide is NC(=O)CN(C(=O)c1cc(F)ccc1F)C1CCNCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide?
The InChIKey is LVFBHPOOPCSPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c15-9-1-2-12(16)11(7-9)14(21)19(8-13(17)20)10-3-5-18-6-4-10/h1-2,7,10,18H,3-6,8H2,(H2,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide?
N-(2-amino-2-oxoethyl)-2,5-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)-2,5-difluoro-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 60799815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).