[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone

C18H27N3O3 — CID 133118050

IUPAC[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone
SMILESCN1[C@@H]2CC[C@H]1CN(C(=O)c1coc(CN3CCOCC3)c1)CC2
InChIInChI=1S/C18H27N3O3/c1-19-15-2-3-16(19)11-21(5-4-15)18(22)14-10-17(24-13-14)12-20-6-8-23-9-7-20/h10,13,15-16H,2-9,11-12H2,1H3/t15-,16+/m1/s1
InChIKeyUEWPWMYXWMJPFS-CVEARBPZSA-N
MW333.43 g/mol
LogP1.42
Rot. Bonds3

About [(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone

[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone (PubChem CID 133118050) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is [(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone.

Molecular Properties

Compound Name[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone
PubChem CID133118050
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone
SMILESCN1[C@@H]2CC[C@H]1CN(C(=O)c1coc(CN3CCOCC3)c1)CC2
InChIInChI=1S/C18H27N3O3/c1-19-15-2-3-16(19)11-21(5-4-15)18(22)14-10-17(24-13-14)12-20-6-8-23-9-7-20/h10,13,15-16H,2-9,11-12H2,1H3/t15-,16+/m1/s1
InChIKeyUEWPWMYXWMJPFS-CVEARBPZSA-N
XLogP1.42
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone?
The IUPAC name of [(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone (CID 133118050) is [(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone.
What is the SMILES notation for [(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone?
The canonical SMILES for [(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone is CN1[C@@H]2CC[C@H]1CN(C(=O)c1coc(CN3CCOCC3)c1)CC2.
What is the InChIKey of [(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone?
The InChIKey is UEWPWMYXWMJPFS-CVEARBPZSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-19-15-2-3-16(19)11-21(5-4-15)18(22)14-10-17(24-13-14)12-20-6-8-23-9-7-20/h10,13,15-16H,2-9,11-12H2,1H3/t15-,16+/m1/s1.
What are the key properties of [(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone?
[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone has a molecular weight of 333.43 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone is sourced from PubChem (CID 133118050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).