5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one

C16H19N3O2 — CID 145209505

IUPAC5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESNc1cc(C2CCNC(=O)C2)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C16H19N3O2/c17-10-7-11(9-2-5-18-13(20)6-9)14-12(8-10)16(3-1-4-16)15(21)19-14/h7-9H,1-6,17H2,(H,18,20)(H,19,21)
InChIKeyHVZGVDNGHXGLJC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.64
Rot. Bonds1

About 5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one

5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one (PubChem CID 145209505) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one
PubChem CID145209505
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESNc1cc(C2CCNC(=O)C2)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C16H19N3O2/c17-10-7-11(9-2-5-18-13(20)6-9)14-12(8-10)16(3-1-4-16)15(21)19-14/h7-9H,1-6,17H2,(H,18,20)(H,19,21)
InChIKeyHVZGVDNGHXGLJC-UHFFFAOYSA-N
XLogP1.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one?
The IUPAC name of 5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one (CID 145209505) is 5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one?
The canonical SMILES for 5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one is Nc1cc(C2CCNC(=O)C2)c2c(c1)C1(CCC1)C(=O)N2.
What is the InChIKey of 5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one?
The InChIKey is HVZGVDNGHXGLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-10-7-11(9-2-5-18-13(20)6-9)14-12(8-10)16(3-1-4-16)15(21)19-14/h7-9H,1-6,17H2,(H,18,20)(H,19,21).
What are the key properties of 5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one?
5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.64, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 145209505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).