(1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone

C20H27N3O2 — CID 39047066

IUPAC(1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone
SMILESCC(C)c1nc2oc(C(=O)N3CCCCC3)c(N)c2c2c1CCCC2
InChIInChI=1S/C20H27N3O2/c1-12(2)17-14-9-5-4-8-13(14)15-16(21)18(25-19(15)22-17)20(24)23-10-6-3-7-11-23/h12H,3-11,21H2,1-2H3
InChIKeyISOUMIFRJRETLK-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.04
Rot. Bonds2

About (1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone

(1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone (PubChem CID 39047066) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone
PubChem CID39047066
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone
SMILESCC(C)c1nc2oc(C(=O)N3CCCCC3)c(N)c2c2c1CCCC2
InChIInChI=1S/C20H27N3O2/c1-12(2)17-14-9-5-4-8-13(14)15-16(21)18(25-19(15)22-17)20(24)23-10-6-3-7-11-23/h12H,3-11,21H2,1-2H3
InChIKeyISOUMIFRJRETLK-UHFFFAOYSA-N
XLogP4.04
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone (CID 39047066) is (1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone is CC(C)c1nc2oc(C(=O)N3CCCCC3)c(N)c2c2c1CCCC2.
What is the InChIKey of (1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone?
The InChIKey is ISOUMIFRJRETLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-12(2)17-14-9-5-4-8-13(14)15-16(21)18(25-19(15)22-17)20(24)23-10-6-3-7-11-23/h12H,3-11,21H2,1-2H3.
What are the key properties of (1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone?
(1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone has a molecular weight of 341.46 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 39047066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).