2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one

C19H25N3O2 — CID 56876952

IUPAC2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCCC(OCc2cccnc2)C1)n1cccc1
InChIInChI=1S/C19H25N3O2/c1-19(2,22-11-3-4-12-22)18(23)21-10-6-8-17(14-21)24-15-16-7-5-9-20-13-16/h3-5,7,9,11-13,17H,6,8,10,14-15H2,1-2H3
InChIKeyWEBHBGBPAGGVIM-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.83
Rot. Bonds5

About 2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one

2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one (PubChem CID 56876952) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one
PubChem CID56876952
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCCC(OCc2cccnc2)C1)n1cccc1
InChIInChI=1S/C19H25N3O2/c1-19(2,22-11-3-4-12-22)18(23)21-10-6-8-17(14-21)24-15-16-7-5-9-20-13-16/h3-5,7,9,11-13,17H,6,8,10,14-15H2,1-2H3
InChIKeyWEBHBGBPAGGVIM-UHFFFAOYSA-N
XLogP2.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one (CID 56876952) is 2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one is CC(C)(C(=O)N1CCCC(OCc2cccnc2)C1)n1cccc1.
What is the InChIKey of 2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one?
The InChIKey is WEBHBGBPAGGVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2,22-11-3-4-12-22)18(23)21-10-6-8-17(14-21)24-15-16-7-5-9-20-13-16/h3-5,7,9,11-13,17H,6,8,10,14-15H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one?
2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 56876952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).