(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione

C16H21N3O2 — CID 166899562

IUPAC(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
SMILESO=C1CC[C@H](Nc2ccc(C3CCNCC3)cc2)C(=O)N1
InChIInChI=1S/C16H21N3O2/c20-15-6-5-14(16(21)19-15)18-13-3-1-11(2-4-13)12-7-9-17-10-8-12/h1-4,12,14,17-18H,5-10H2,(H,19,20,21)/t14-/m0/s1
InChIKeyWVVFLRPIVNZLID-AWEZNQCLSA-N
MW287.36 g/mol
LogP1.37
Rot. Bonds3

About (3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione

(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione (PubChem CID 166899562) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
PubChem CID166899562
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
SMILESO=C1CC[C@H](Nc2ccc(C3CCNCC3)cc2)C(=O)N1
InChIInChI=1S/C16H21N3O2/c20-15-6-5-14(16(21)19-15)18-13-3-1-11(2-4-13)12-7-9-17-10-8-12/h1-4,12,14,17-18H,5-10H2,(H,19,20,21)/t14-/m0/s1
InChIKeyWVVFLRPIVNZLID-AWEZNQCLSA-N
XLogP1.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118
3-(4-piperidin-3-ylanilino)piperidine-2,6-dione
CID 166117596
3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166117287
3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 156505691
3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
(3S)-3-[4-[1-(2-oxo-2-piperazin-1-ylethyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 175885718
3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione
CID 166117145
3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 175885647
2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetic acid;hydrochloride
CID 175756578
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
3-(4-ethynylanilino)piperidine-2,6-dione
CID 170917477
potassium 3-(anilino)piperidine-2,6-dione
CID 169190282

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione?
The IUPAC name of (3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione (CID 166899562) is (3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione?
The canonical SMILES for (3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione is O=C1CC[C@H](Nc2ccc(C3CCNCC3)cc2)C(=O)N1.
What is the InChIKey of (3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione?
The InChIKey is WVVFLRPIVNZLID-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15-6-5-14(16(21)19-15)18-13-3-1-11(2-4-13)12-7-9-17-10-8-12/h1-4,12,14,17-18H,5-10H2,(H,19,20,21)/t14-/m0/s1.
What are the key properties of (3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione?
(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione has a molecular weight of 287.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione is sourced from PubChem (CID 166899562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).