N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide

C14H18FN3O2 — CID 60800351

IUPACN-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
SMILESNC(=O)CN(C(=O)c1cccc(F)c1)C1CCNCC1
InChIInChI=1S/C14H18FN3O2/c15-11-3-1-2-10(8-11)14(20)18(9-13(16)19)12-4-6-17-7-5-12/h1-3,8,12,17H,4-7,9H2,(H2,16,19)
InChIKeyGPSFVOVUXCNHEN-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.51
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide

N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide (PubChem CID 60800351) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
PubChem CID60800351
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
SMILESNC(=O)CN(C(=O)c1cccc(F)c1)C1CCNCC1
InChIInChI=1S/C14H18FN3O2/c15-11-3-1-2-10(8-11)14(20)18(9-13(16)19)12-4-6-17-7-5-12/h1-3,8,12,17H,4-7,9H2,(H2,16,19)
InChIKeyGPSFVOVUXCNHEN-UHFFFAOYSA-N
XLogP0.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide
CID 60802278
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide
CID 60799815
N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60805866
N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide
CID 79213778
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 107014678
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide
CID 60806689
2-[(3-fluorophenyl)sulfonyl-piperidin-4-ylamino]acetamide
CID 60799639
N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyridine-3-carboxamide
CID 60800355
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide
CID 47212490
N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide
CID 47210213

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide (CID 60800351) is N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide is NC(=O)CN(C(=O)c1cccc(F)c1)C1CCNCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide?
The InChIKey is GPSFVOVUXCNHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-11-3-1-2-10(8-11)14(20)18(9-13(16)19)12-4-6-17-7-5-12/h1-3,8,12,17H,4-7,9H2,(H2,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide?
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide has a molecular weight of 279.31 g/mol, XLogP of 0.51, 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)-3-fluoro-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 60800351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).