1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone

C20H30N2O2 — CID 145341726

IUPAC1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1cc(C)c(N2CCC(OCC3(C)CCC3)CC2)nc1C
InChIInChI=1S/C20H30N2O2/c1-14-12-18(16(3)23)15(2)21-19(14)22-10-6-17(7-11-22)24-13-20(4)8-5-9-20/h12,17H,5-11,13H2,1-4H3
InChIKeyUROXELIDMGWMLX-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.08
Rot. Bonds5

About 1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone

1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 145341726) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID145341726
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1cc(C)c(N2CCC(OCC3(C)CCC3)CC2)nc1C
InChIInChI=1S/C20H30N2O2/c1-14-12-18(16(3)23)15(2)21-19(14)22-10-6-17(7-11-22)24-13-20(4)8-5-9-20/h12,17H,5-11,13H2,1-4H3
InChIKeyUROXELIDMGWMLX-UHFFFAOYSA-N
XLogP4.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone (CID 145341726) is 1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone is CC(=O)c1cc(C)c(N2CCC(OCC3(C)CCC3)CC2)nc1C.
What is the InChIKey of 1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is UROXELIDMGWMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-14-12-18(16(3)23)15(2)21-19(14)22-10-6-17(7-11-22)24-13-20(4)8-5-9-20/h12,17H,5-11,13H2,1-4H3.
What are the key properties of 1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone?
1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 330.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-6-[4-[(1-methylcyclobutyl)methoxy]piperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 145341726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).