N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide

C13H16FN3O2 — CID 113228864

IUPACN-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccnc(F)c2)CC1
InChIInChI=1S/C13H16FN3O2/c1-9(18)16-11-3-6-17(7-4-11)13(19)10-2-5-15-12(14)8-10/h2,5,8,11H,3-4,6-7H2,1H3,(H,16,18)
InChIKeyWGHZTZKZMKHAHI-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.96
Rot. Bonds2

About N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide

N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide (PubChem CID 113228864) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
PubChem CID113228864
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC NameN-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccnc(F)c2)CC1
InChIInChI=1S/C13H16FN3O2/c1-9(18)16-11-3-6-17(7-4-11)13(19)10-2-5-15-12(14)8-10/h2,5,8,11H,3-4,6-7H2,1H3,(H,16,18)
InChIKeyWGHZTZKZMKHAHI-UHFFFAOYSA-N
XLogP0.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 115738808
1-(2-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61292738
N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide
CID 61294389
(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678232
3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590844
(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115686935
N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide
CID 115770342
N-[1-(4-iodobenzoyl)piperidin-4-yl]acetamide
CID 49348956
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 79036479
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide (CID 113228864) is N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2ccnc(F)c2)CC1.
What is the InChIKey of N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is WGHZTZKZMKHAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-9(18)16-11-3-6-17(7-4-11)13(19)10-2-5-15-12(14)8-10/h2,5,8,11H,3-4,6-7H2,1H3,(H,16,18).
What are the key properties of N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide?
N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 265.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 113228864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).