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

C20H23N3O4 — CID 122256758

IUPAC4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide
SMILESCc1cccc(OCC(=O)N2CCCC(Oc3ccnc(C(N)=O)c3)C2)c1
InChIInChI=1S/C20H23N3O4/c1-14-4-2-5-15(10-14)26-13-19(24)23-9-3-6-17(12-23)27-16-7-8-22-18(11-16)20(21)25/h2,4-5,7-8,10-11,17H,3,6,9,12-13H2,1H3,(H2,21,25)
InChIKeyXJAOMNMVKVGVRB-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.94
Rot. Bonds6

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

4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide (PubChem CID 122256758) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide
PubChem CID122256758
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide
SMILESCc1cccc(OCC(=O)N2CCCC(Oc3ccnc(C(N)=O)c3)C2)c1
InChIInChI=1S/C20H23N3O4/c1-14-4-2-5-15(10-14)26-13-19(24)23-9-3-6-17(12-23)27-16-7-8-22-18(11-16)20(21)25/h2,4-5,7-8,10-11,17H,3,6,9,12-13H2,1H3,(H2,21,25)
InChIKeyXJAOMNMVKVGVRB-UHFFFAOYSA-N
XLogP1.94
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2-phenoxyacetyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256747
2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255771
4-(1-butanoylpiperidin-3-yl)oxypyridine-2-carboxamide
CID 122256660
4-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256922
3-[(3S)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649655
3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649641
4-[1-(cyclopentylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257046
4-[1-(2,6-difluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256720
4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256686
4-[1-(phenylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256998
4-[1-(1-acetylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256655
4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256640

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide (CID 122256758) is 4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide is Cc1cccc(OCC(=O)N2CCCC(Oc3ccnc(C(N)=O)c3)C2)c1.
What is the InChIKey of 4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide?
The InChIKey is XJAOMNMVKVGVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-14-4-2-5-15(10-14)26-13-19(24)23-9-3-6-17(12-23)27-16-7-8-22-18(11-16)20(21)25/h2,4-5,7-8,10-11,17H,3,6,9,12-13H2,1H3,(H2,21,25).
What are the key properties of 4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide?
4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 122256758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).