(2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one

C19H24N2O4 — CID 91349956

IUPAC(2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESCCC1CCO[C@]2(O1)C(=O)Nc1ccc(C(=O)N3CCCCC3)cc12
InChIInChI=1S/C19H24N2O4/c1-2-14-8-11-24-19(25-14)15-12-13(6-7-16(15)20-18(19)23)17(22)21-9-4-3-5-10-21/h6-7,12,14H,2-5,8-11H2,1H3,(H,20,23)/t14?,19-/m1/s1
InChIKeyDVAHYBAQHKLZLC-JANGERMGSA-N
MW344.41 g/mol
LogP2.63
Rot. Bonds2

About (2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one

(2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one (PubChem CID 91349956) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name(2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one
PubChem CID91349956
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESCCC1CCO[C@]2(O1)C(=O)Nc1ccc(C(=O)N3CCCCC3)cc12
InChIInChI=1S/C19H24N2O4/c1-2-14-8-11-24-19(25-14)15-12-13(6-7-16(15)20-18(19)23)17(22)21-9-4-3-5-10-21/h6-7,12,14H,2-5,8-11H2,1H3,(H,20,23)/t14?,19-/m1/s1
InChIKeyDVAHYBAQHKLZLC-JANGERMGSA-N
XLogP2.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The IUPAC name of (2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one (CID 91349956) is (2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for (2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The canonical SMILES for (2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one is CCC1CCO[C@]2(O1)C(=O)Nc1ccc(C(=O)N3CCCCC3)cc12.
What is the InChIKey of (2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The InChIKey is DVAHYBAQHKLZLC-JANGERMGSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-2-14-8-11-24-19(25-14)15-12-13(6-7-16(15)20-18(19)23)17(22)21-9-4-3-5-10-21/h6-7,12,14H,2-5,8-11H2,1H3,(H,20,23)/t14?,19-/m1/s1.
What are the key properties of (2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
(2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one has a molecular weight of 344.41 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 91349956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).