N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide

C13H15F2N3O2 — CID 105380881

IUPACN-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2ccnc(F)c2F)C1
InChIInChI=1S/C13H15F2N3O2/c1-8(19)17-9-3-2-6-18(7-9)13(20)10-4-5-16-12(15)11(10)14/h4-5,9H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyYXJIPHBTCQPXKE-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.10
Rot. Bonds2

About N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide

N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide (PubChem CID 105380881) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide
PubChem CID105380881
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC NameN-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2ccnc(F)c2F)C1
InChIInChI=1S/C13H15F2N3O2/c1-8(19)17-9-3-2-6-18(7-9)13(20)10-4-5-16-12(15)11(10)14/h4-5,9H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyYXJIPHBTCQPXKE-UHFFFAOYSA-N
XLogP1.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.10
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

(2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 105380117
N-[1-(3-amino-2,5-difluorobenzoyl)piperidin-3-yl]acetamide
CID 107120711
(2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 105381176
N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 61108163
2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616081
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-(1-acetylpiperidin-4-yl)-2,3-difluoropyridine-4-carboxamide
CID 105380733
N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide
CID 61109681
N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide
CID 61051093
N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
CID 126424676
N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 62234754

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide (CID 105380881) is N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)c2ccnc(F)c2F)C1.
What is the InChIKey of N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is YXJIPHBTCQPXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-8(19)17-9-3-2-6-18(7-9)13(20)10-4-5-16-12(15)11(10)14/h4-5,9H,2-3,6-7H2,1H3,(H,17,19).
What are the key properties of N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide?
N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 283.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 105380881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).