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

C21H22ClN3O4 — CID 122256640

IUPAC4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCCN(C(=O)CCC(=O)c3ccc(Cl)cc3)C2)ccn1
InChIInChI=1S/C21H22ClN3O4/c22-15-5-3-14(4-6-15)19(26)7-8-20(27)25-11-1-2-17(13-25)29-16-9-10-24-18(12-16)21(23)28/h3-6,9-10,12,17H,1-2,7-8,11,13H2,(H2,23,28)
InChIKeyLWBOBIHAHYCYJG-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.87
Rot. Bonds7

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

4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide (PubChem CID 122256640) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is 4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide
PubChem CID122256640
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCCN(C(=O)CCC(=O)c3ccc(Cl)cc3)C2)ccn1
InChIInChI=1S/C21H22ClN3O4/c22-15-5-3-14(4-6-15)19(26)7-8-20(27)25-11-1-2-17(13-25)29-16-9-10-24-18(12-16)21(23)28/h3-6,9-10,12,17H,1-2,7-8,11,13H2,(H2,23,28)
InChIKeyLWBOBIHAHYCYJG-UHFFFAOYSA-N
XLogP2.87
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide with MolForge

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Related Compounds

4-(1-butanoylpiperidin-3-yl)oxypyridine-2-carboxamide
CID 122256660
4-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256922
4-[1-(2-phenoxyacetyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256747
1-(4-chlorophenyl)-4-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]butane-1,4-dione
CID 122257704
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-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256686
4-[1-(cyclopentylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257046
methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 122256644
4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256758
4-[1-(2,6-difluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256720
4-[1-(1H-indole-5-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256871

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide (CID 122256640) is 4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide is NC(=O)c1cc(OC2CCCN(C(=O)CCC(=O)c3ccc(Cl)cc3)C2)ccn1.
What is the InChIKey of 4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide?
The InChIKey is LWBOBIHAHYCYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c22-15-5-3-14(4-6-15)19(26)7-8-20(27)25-11-1-2-17(13-25)29-16-9-10-24-18(12-16)21(23)28/h3-6,9-10,12,17H,1-2,7-8,11,13H2,(H2,23,28).
What are the key properties of 4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide?
4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 122256640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).