2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C19H27N3O2 — CID 129277712

IUPAC2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1c(N2CCC(OCC3CCC3)CC2)nc2c(c1C)C(=O)NC2
InChIInChI=1S/C19H27N3O2/c1-12-13(2)18(21-16-10-20-19(23)17(12)16)22-8-6-15(7-9-22)24-11-14-4-3-5-14/h14-15H,3-11H2,1-2H3,(H,20,23)
InChIKeyNGLZHSURIOKGLL-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.73
Rot. Bonds4

About 2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277712) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID129277712
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1c(N2CCC(OCC3CCC3)CC2)nc2c(c1C)C(=O)NC2
InChIInChI=1S/C19H27N3O2/c1-12-13(2)18(21-16-10-20-19(23)17(12)16)22-8-6-15(7-9-22)24-11-14-4-3-5-14/h14-15H,3-11H2,1-2H3,(H,20,23)
InChIKeyNGLZHSURIOKGLL-UHFFFAOYSA-N
XLogP2.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129277712) is 2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cc1c(N2CCC(OCC3CCC3)CC2)nc2c(c1C)C(=O)NC2.
What is the InChIKey of 2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is NGLZHSURIOKGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12-13(2)18(21-16-10-20-19(23)17(12)16)22-8-6-15(7-9-22)24-11-14-4-3-5-14/h14-15H,3-11H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 329.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylmethoxy)piperidin-1-yl]-3,4-dimethyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).