3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline

C20H31N3O2 — CID 164634689

IUPAC3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline
SMILESc1c(OCC2CCN(C[C@H]3CCCCO3)CC2)nnc2c1CCCC2
InChIInChI=1S/C20H31N3O2/c1-2-7-19-17(5-1)13-20(22-21-19)25-15-16-8-10-23(11-9-16)14-18-6-3-4-12-24-18/h13,16,18H,1-12,14-15H2/t18-/m1/s1
InChIKeyKOASVBTZEDIAPU-GOSISDBHSA-N
MW345.49 g/mol
LogP3.02
Rot. Bonds5

About 3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline

3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline (PubChem CID 164634689) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline.

Molecular Properties

Compound Name3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline
PubChem CID164634689
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline
SMILESc1c(OCC2CCN(C[C@H]3CCCCO3)CC2)nnc2c1CCCC2
InChIInChI=1S/C20H31N3O2/c1-2-7-19-17(5-1)13-20(22-21-19)25-15-16-8-10-23(11-9-16)14-18-6-3-4-12-24-18/h13,16,18H,1-12,14-15H2/t18-/m1/s1
InChIKeyKOASVBTZEDIAPU-GOSISDBHSA-N
XLogP3.02
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline?
The IUPAC name of 3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline (CID 164634689) is 3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline.
What is the SMILES notation for 3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline?
The canonical SMILES for 3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline is c1c(OCC2CCN(C[C@H]3CCCCO3)CC2)nnc2c1CCCC2.
What is the InChIKey of 3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline?
The InChIKey is KOASVBTZEDIAPU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-2-7-19-17(5-1)13-20(22-21-19)25-15-16-8-10-23(11-9-16)14-18-6-3-4-12-24-18/h13,16,18H,1-12,14-15H2/t18-/m1/s1.
What are the key properties of 3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline?
3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline has a molecular weight of 345.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline is sourced from PubChem (CID 164634689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).