3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one

C19H32N2O2 — CID 154820029

IUPAC3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one
SMILESCN(C)C[C@H]1[C@H]2CN(C(=O)CCC3CCCC3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H32N2O2/c1-20(2)11-15-16-12-21(13-19(16)10-9-17(15)23-19)18(22)8-7-14-5-3-4-6-14/h14-17H,3-13H2,1-2H3/t15-,16+,17+,19+/m0/s1
InChIKeyNYHXSSFTQRPZMA-DODZYUBVSA-N
MW320.48 g/mol
LogP2.52
Rot. Bonds5

About 3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one

3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one (PubChem CID 154820029) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one
PubChem CID154820029
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one
SMILESCN(C)C[C@H]1[C@H]2CN(C(=O)CCC3CCCC3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H32N2O2/c1-20(2)11-15-16-12-21(13-19(16)10-9-17(15)23-19)18(22)8-7-14-5-3-4-6-14/h14-17H,3-13H2,1-2H3/t15-,16+,17+,19+/m0/s1
InChIKeyNYHXSSFTQRPZMA-DODZYUBVSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one (CID 154820029) is 3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one is CN(C)C[C@H]1[C@H]2CN(C(=O)CCC3CCCC3)C[C@]23CC[C@H]1O3.
What is the InChIKey of 3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one?
The InChIKey is NYHXSSFTQRPZMA-DODZYUBVSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-20(2)11-15-16-12-21(13-19(16)10-9-17(15)23-19)18(22)8-7-14-5-3-4-6-14/h14-17H,3-13H2,1-2H3/t15-,16+,17+,19+/m0/s1.
What are the key properties of 3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one?
3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one has a molecular weight of 320.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]propan-1-one is sourced from PubChem (CID 154820029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).