[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone

C20H26N2O3 — CID 95136848

IUPAC[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCCc1cccc2c(C3CCN(C(=O)[C@H]4COCCO4)CC3)c[nH]c12
InChIInChI=1S/C20H26N2O3/c1-2-14-4-3-5-16-17(12-21-19(14)16)15-6-8-22(9-7-15)20(23)18-13-24-10-11-25-18/h3-5,12,15,18,21H,2,6-11,13H2,1H3/t18-/m1/s1
InChIKeyLVVWTDHTXQPOEZ-GOSISDBHSA-N
MW342.44 g/mol
LogP2.85
Rot. Bonds3

About [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone

[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 95136848) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID95136848
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCCc1cccc2c(C3CCN(C(=O)[C@H]4COCCO4)CC3)c[nH]c12
InChIInChI=1S/C20H26N2O3/c1-2-14-4-3-5-16-17(12-21-19(14)16)15-6-8-22(9-7-15)20(23)18-13-24-10-11-25-18/h3-5,12,15,18,21H,2,6-11,13H2,1H3/t18-/m1/s1
InChIKeyLVVWTDHTXQPOEZ-GOSISDBHSA-N
XLogP2.85
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone (CID 95136848) is [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone is CCc1cccc2c(C3CCN(C(=O)[C@H]4COCCO4)CC3)c[nH]c12.
What is the InChIKey of [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is LVVWTDHTXQPOEZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-14-4-3-5-16-17(12-21-19(14)16)15-6-8-22(9-7-15)20(23)18-13-24-10-11-25-18/h3-5,12,15,18,21H,2,6-11,13H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone?
[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95136848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).