ethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one

C21H33N3O2 — CID 145209352

IUPACethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESCC.CCN1CCC(Oc2cc(NC)cc3c2NC(=O)C32CCC2)CC1
InChIInChI=1S/C19H27N3O2.C2H6/c1-3-22-9-5-14(6-10-22)24-16-12-13(20-2)11-15-17(16)21-18(23)19(15)7-4-8-19;1-2/h11-12,14,20H,3-10H2,1-2H3,(H,21,23);1-2H3
InChIKeyYERFGXZLRZGLCA-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.99
Rot. Bonds4

About ethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one

ethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one (PubChem CID 145209352) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is ethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Nameethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one
PubChem CID145209352
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Nameethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESCC.CCN1CCC(Oc2cc(NC)cc3c2NC(=O)C32CCC2)CC1
InChIInChI=1S/C19H27N3O2.C2H6/c1-3-22-9-5-14(6-10-22)24-16-12-13(20-2)11-15-17(16)21-18(23)19(15)7-4-8-19;1-2/h11-12,14,20H,3-10H2,1-2H3,(H,21,23);1-2H3
InChIKeyYERFGXZLRZGLCA-UHFFFAOYSA-N
XLogP3.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one?
The IUPAC name of ethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one (CID 145209352) is ethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one.
What is the SMILES notation for ethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one?
The canonical SMILES for ethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one is CC.CCN1CCC(Oc2cc(NC)cc3c2NC(=O)C32CCC2)CC1.
What is the InChIKey of ethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one?
The InChIKey is YERFGXZLRZGLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.C2H6/c1-3-22-9-5-14(6-10-22)24-16-12-13(20-2)11-15-17(16)21-18(23)19(15)7-4-8-19;1-2/h11-12,14,20H,3-10H2,1-2H3,(H,21,23);1-2H3.
What are the key properties of ethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one?
ethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one has a molecular weight of 359.51 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 145209352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).