3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide

C18H27N3O3 — CID 110097360

IUPAC3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(C2CCN(C3COCC3O)CC2)n1
InChIInChI=1S/C18H27N3O3/c1-19-18(23)6-5-14-3-2-4-15(20-14)13-7-9-21(10-8-13)16-11-24-12-17(16)22/h2-4,13,16-17,22H,5-12H2,1H3,(H,19,23)
InChIKeyPUVURPXBODRXHM-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.70
Rot. Bonds5

About 3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide

3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide (PubChem CID 110097360) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide
PubChem CID110097360
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(C2CCN(C3COCC3O)CC2)n1
InChIInChI=1S/C18H27N3O3/c1-19-18(23)6-5-14-3-2-4-15(20-14)13-7-9-21(10-8-13)16-11-24-12-17(16)22/h2-4,13,16-17,22H,5-12H2,1H3,(H,19,23)
InChIKeyPUVURPXBODRXHM-UHFFFAOYSA-N
XLogP0.70
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide?
The IUPAC name of 3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide (CID 110097360) is 3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide.
What is the SMILES notation for 3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide?
The canonical SMILES for 3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide is CNC(=O)CCc1cccc(C2CCN(C3COCC3O)CC2)n1.
What is the InChIKey of 3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide?
The InChIKey is PUVURPXBODRXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-19-18(23)6-5-14-3-2-4-15(20-14)13-7-9-21(10-8-13)16-11-24-12-17(16)22/h2-4,13,16-17,22H,5-12H2,1H3,(H,19,23).
What are the key properties of 3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide?
3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide has a molecular weight of 333.43 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(4-hydroxyoxolan-3-yl)piperidin-4-yl]-2-pyridinyl]-N-methylpropanamide is sourced from PubChem (CID 110097360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).