2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone

C16H28N2O2 — CID 107392362

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)C2CC3CCCCC3N2)C1
InChIInChI=1S/C16H28N2O2/c1-16(20-2)8-5-9-18(11-16)15(19)14-10-12-6-3-4-7-13(12)17-14/h12-14,17H,3-11H2,1-2H3
InChIKeyFFDOZFKCIWDNSH-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.93
Rot. Bonds2

About 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone

2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107392362) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107392362
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)C2CC3CCCCC3N2)C1
InChIInChI=1S/C16H28N2O2/c1-16(20-2)8-5-9-18(11-16)15(19)14-10-12-6-3-4-7-13(12)17-14/h12-14,17H,3-11H2,1-2H3
InChIKeyFFDOZFKCIWDNSH-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107392362) is 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone is COC1(C)CCCN(C(=O)C2CC3CCCCC3N2)C1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is FFDOZFKCIWDNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-16(20-2)8-5-9-18(11-16)15(19)14-10-12-6-3-4-7-13(12)17-14/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone?
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 280.41 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107392362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).