3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione

C18H23N3O3 — CID 172603649

IUPAC3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc3c(c2)OC2(CCNCC2)CC3)C(=O)N1
InChIInChI=1S/C18H23N3O3/c22-16-4-3-14(17(23)21-16)20-13-2-1-12-5-6-18(24-15(12)11-13)7-9-19-10-8-18/h1-2,11,14,19-20H,3-10H2,(H,21,22,23)
InChIKeyLZOKPHBJVDWZTN-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.35
Rot. Bonds2

About 3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione

3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione (PubChem CID 172603649) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione
PubChem CID172603649
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc3c(c2)OC2(CCNCC2)CC3)C(=O)N1
InChIInChI=1S/C18H23N3O3/c22-16-4-3-14(17(23)21-16)20-13-2-1-12-5-6-18(24-15(12)11-13)7-9-19-10-8-18/h1-2,11,14,19-20H,3-10H2,(H,21,22,23)
InChIKeyLZOKPHBJVDWZTN-UHFFFAOYSA-N
XLogP1.35
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(spiro[3H-1-benzofuran-2,4'-piperidine]-6-ylamino)piperidine-2,6-dione
CID 172603641
3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione
CID 172603648
3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride
CID 175526668
(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 166899562
3-(3-hydroxyanilino)piperidine-2,6-dione
CID 170904961
3-(4-piperidin-3-ylanilino)piperidine-2,6-dione
CID 166117596
3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118
3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione
CID 166168180
3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione
CID 137368671
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
3-(4-ethynylanilino)piperidine-2,6-dione
CID 170917477

Frequently Asked Questions

What is the IUPAC name of 3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione?
The IUPAC name of 3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione (CID 172603649) is 3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione.
What is the SMILES notation for 3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione?
The canonical SMILES for 3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione is O=C1CCC(Nc2ccc3c(c2)OC2(CCNCC2)CC3)C(=O)N1.
What is the InChIKey of 3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione?
The InChIKey is LZOKPHBJVDWZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-16-4-3-14(17(23)21-16)20-13-2-1-12-5-6-18(24-15(12)11-13)7-9-19-10-8-18/h1-2,11,14,19-20H,3-10H2,(H,21,22,23).
What are the key properties of 3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione?
3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione has a molecular weight of 329.40 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylamino)piperidine-2,6-dione is sourced from PubChem (CID 172603649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).