4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide

C14H18ClN3O3 — CID 122256686

IUPAC4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
SMILESCC(Cl)C(=O)N1CCCC(Oc2ccnc(C(N)=O)c2)C1
InChIInChI=1S/C14H18ClN3O3/c1-9(15)14(20)18-6-2-3-11(8-18)21-10-4-5-17-12(7-10)13(16)19/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,16,19)
InChIKeyCNMOCOXSNNZFMH-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.18
Rot. Bonds4

About 4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide

4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide (PubChem CID 122256686) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
PubChem CID122256686
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
SMILESCC(Cl)C(=O)N1CCCC(Oc2ccnc(C(N)=O)c2)C1
InChIInChI=1S/C14H18ClN3O3/c1-9(15)14(20)18-6-2-3-11(8-18)21-10-4-5-17-12(7-10)13(16)19/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,16,19)
InChIKeyCNMOCOXSNNZFMH-UHFFFAOYSA-N
XLogP1.18
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(1-butanoylpiperidin-3-yl)oxypyridine-2-carboxamide
CID 122256660
4-[1-(cyclopentylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257046
4-[1-(1-acetylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256655
methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 122256644
4-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256922
4-[1-(phenylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256998
4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256718
4-[1-(4-fluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256712
4-[1-(2,6-difluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256720
4-[1-(2-phenoxyacetyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256747
4-[1-(1,2-oxazole-5-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256598
4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256822

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide (CID 122256686) is 4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide is CC(Cl)C(=O)N1CCCC(Oc2ccnc(C(N)=O)c2)C1.
What is the InChIKey of 4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The InChIKey is CNMOCOXSNNZFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-9(15)14(20)18-6-2-3-11(8-18)21-10-4-5-17-12(7-10)13(16)19/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,16,19).
What are the key properties of 4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide?
4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 122256686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).