N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide

C18H23N3O3 — CID 154785288

IUPACN-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ccncc3CO)CC2)c(C)o1
InChIInChI=1S/C18H23N3O3/c1-12-9-16(13(2)24-12)18(23)20-15-4-7-21(8-5-15)17-3-6-19-10-14(17)11-22/h3,6,9-10,15,22H,4-5,7-8,11H2,1-2H3,(H,20,23)
InChIKeySTLALQXLIGKIKW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.18
Rot. Bonds4

About N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide

N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 154785288) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID154785288
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ccncc3CO)CC2)c(C)o1
InChIInChI=1S/C18H23N3O3/c1-12-9-16(13(2)24-12)18(23)20-15-4-7-21(8-5-15)17-3-6-19-10-14(17)11-22/h3,6,9-10,15,22H,4-5,7-8,11H2,1-2H3,(H,20,23)
InChIKeySTLALQXLIGKIKW-UHFFFAOYSA-N
XLogP2.18
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 71879750
N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 47067173
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 133361200
N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119044723
N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71879738
[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 136568171
N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 133287159
N-[4-(ethylamino)cyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 43653345
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 133294308
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316694
2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide
CID 99816350

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (CID 154785288) is N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2CCN(c3ccncc3CO)CC2)c(C)o1.
What is the InChIKey of N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is STLALQXLIGKIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-9-16(13(2)24-12)18(23)20-15-4-7-21(8-5-15)17-3-6-19-10-14(17)11-22/h3,6,9-10,15,22H,4-5,7-8,11H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 154785288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).