3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride

C18H24ClN3O2 — CID 175526668

IUPAC3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CCC(Nc2ccc3c(c2)CCC32CCNCC2)C(=O)N1
InChIInChI=1S/C18H23N3O2.ClH/c22-16-4-3-15(17(23)21-16)20-13-1-2-14-12(11-13)5-6-18(14)7-9-19-10-8-18;/h1-2,11,15,19-20H,3-10H2,(H,21,22,23);1H
InChIKeyKNDIVLDHCDKBGE-UHFFFAOYSA-N
MW349.86 g/mol
LogP1.89
Rot. Bonds2

About 3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride

3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride (PubChem CID 175526668) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride
PubChem CID175526668
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CCC(Nc2ccc3c(c2)CCC32CCNCC2)C(=O)N1
InChIInChI=1S/C18H23N3O2.ClH/c22-16-4-3-15(17(23)21-16)20-13-1-2-14-12(11-13)5-6-18(14)7-9-19-10-8-18;/h1-2,11,15,19-20H,3-10H2,(H,21,22,23);1H
InChIKeyKNDIVLDHCDKBGE-UHFFFAOYSA-N
XLogP1.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride?
The IUPAC name of 3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride (CID 175526668) is 3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride?
The canonical SMILES for 3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride is Cl.O=C1CCC(Nc2ccc3c(c2)CCC32CCNCC2)C(=O)N1.
What is the InChIKey of 3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride?
The InChIKey is KNDIVLDHCDKBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.ClH/c22-16-4-3-15(17(23)21-16)20-13-1-2-14-12(11-13)5-6-18(14)7-9-19-10-8-18;/h1-2,11,15,19-20H,3-10H2,(H,21,22,23);1H.
What are the key properties of 3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride?
3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 175526668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).