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

C18H26N4O5S — CID 122256822

IUPAC4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCCC(Oc3ccnc(C(N)=O)c3)C2)CC1
InChIInChI=1S/C18H26N4O5S/c1-28(25,26)22-9-5-13(6-10-22)18(24)21-8-2-3-15(12-21)27-14-4-7-20-16(11-14)17(19)23/h4,7,11,13,15H,2-3,5-6,8-10,12H2,1H3,(H2,19,23)
InChIKeyKCUHZJZUFQAGIO-UHFFFAOYSA-N
MW410.50 g/mol
LogP0.22
Rot. Bonds5

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

4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide (PubChem CID 122256822) has the molecular formula C18H26N4O5S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
PubChem CID122256822
Molecular FormulaC18H26N4O5S
Molecular Weight410.50 g/mol
Exact Mass410.16
IUPAC Name4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCCC(Oc3ccnc(C(N)=O)c3)C2)CC1
InChIInChI=1S/C18H26N4O5S/c1-28(25,26)22-9-5-13(6-10-22)18(24)21-8-2-3-15(12-21)27-14-4-7-20-16(11-14)17(19)23/h4,7,11,13,15H,2-3,5-6,8-10,12H2,1H3,(H2,19,23)
InChIKeyKCUHZJZUFQAGIO-UHFFFAOYSA-N
XLogP0.22
TPSA122.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(1-acetylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256655
4-(1-butanoylpiperidin-3-yl)oxypyridine-2-carboxamide
CID 122256660
4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256686
4-[1-(cyclopentylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257046
4-[1-(phenylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256998
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-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256718
4-[1-(4-fluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256712
N-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 126827884
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide (CID 122256822) is 4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide is CS(=O)(=O)N1CCC(C(=O)N2CCCC(Oc3ccnc(C(N)=O)c3)C2)CC1.
What is the InChIKey of 4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The InChIKey is KCUHZJZUFQAGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5S/c1-28(25,26)22-9-5-13(6-10-22)18(24)21-8-2-3-15(12-21)27-14-4-7-20-16(11-14)17(19)23/h4,7,11,13,15H,2-3,5-6,8-10,12H2,1H3,(H2,19,23).
What are the key properties of 4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 122256822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).