3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione

C21H31N3O2 — CID 166117135

IUPAC3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione
SMILESCC(C)N1CCC(c2ccc(NC3CCC(=O)NC3=O)cc2)CC1(C)C
InChIInChI=1S/C21H31N3O2/c1-14(2)24-12-11-16(13-21(24,3)4)15-5-7-17(8-6-15)22-18-9-10-19(25)23-20(18)26/h5-8,14,16,18,22H,9-13H2,1-4H3,(H,23,25,26)
InChIKeyKLLZQVRSCDKUEZ-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.27
Rot. Bonds4

About 3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione

3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione (PubChem CID 166117135) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione
PubChem CID166117135
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione
SMILESCC(C)N1CCC(c2ccc(NC3CCC(=O)NC3=O)cc2)CC1(C)C
InChIInChI=1S/C21H31N3O2/c1-14(2)24-12-11-16(13-21(24,3)4)15-5-7-17(8-6-15)22-18-9-10-19(25)23-20(18)26/h5-8,14,16,18,22H,9-13H2,1-4H3,(H,23,25,26)
InChIKeyKLLZQVRSCDKUEZ-UHFFFAOYSA-N
XLogP3.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166117287
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118
3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166116748
(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 166899562
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 169188670
tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate
CID 166116816
2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetic acid;hydrochloride
CID 175756578
O-tert-butyl 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carbothioate
CID 177363967
3-(4-piperidin-3-ylanilino)piperidine-2,6-dione
CID 166117596
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-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione (CID 166117135) is 3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione is CC(C)N1CCC(c2ccc(NC3CCC(=O)NC3=O)cc2)CC1(C)C.
What is the InChIKey of 3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The InChIKey is KLLZQVRSCDKUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14(2)24-12-11-16(13-21(24,3)4)15-5-7-17(8-6-15)22-18-9-10-19(25)23-20(18)26/h5-8,14,16,18,22H,9-13H2,1-4H3,(H,23,25,26).
What are the key properties of 3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione?
3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione has a molecular weight of 357.50 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 166117135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).