3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione

C17H21N3O3 — CID 172603648

IUPAC3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc3c(c2)CC2(CCNCC2)O3)C(=O)N1
InChIInChI=1S/C17H21N3O3/c21-15-4-2-13(16(22)20-15)19-12-1-3-14-11(9-12)10-17(23-14)5-7-18-8-6-17/h1,3,9,13,18-19H,2,4-8,10H2,(H,20,21,22)
InChIKeyLZIINKVRKDLTGW-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.96
Rot. Bonds2

About 3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione

3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione (PubChem CID 172603648) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione
PubChem CID172603648
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc3c(c2)CC2(CCNCC2)O3)C(=O)N1
InChIInChI=1S/C17H21N3O3/c21-15-4-2-13(16(22)20-15)19-12-1-3-14-11(9-12)10-17(23-14)5-7-18-8-6-17/h1,3,9,13,18-19H,2,4-8,10H2,(H,20,21,22)
InChIKeyLZIINKVRKDLTGW-UHFFFAOYSA-N
XLogP0.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione?
The IUPAC name of 3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione (CID 172603648) is 3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione.
What is the SMILES notation for 3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione?
The canonical SMILES for 3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione is O=C1CCC(Nc2ccc3c(c2)CC2(CCNCC2)O3)C(=O)N1.
What is the InChIKey of 3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione?
The InChIKey is LZIINKVRKDLTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15-4-2-13(16(22)20-15)19-12-1-3-14-11(9-12)10-17(23-14)5-7-18-8-6-17/h1,3,9,13,18-19H,2,4-8,10H2,(H,20,21,22).
What are the key properties of 3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione?
3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione has a molecular weight of 315.37 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione is sourced from PubChem (CID 172603648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).