3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione

C20H31N3O2 — CID 13319688

IUPAC3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione
SMILESCC(C)N(CCC1(c2ccccn2)C(=O)NC(=O)CC1(C)C)C(C)C
InChIInChI=1S/C20H31N3O2/c1-14(2)23(15(3)4)12-10-20(16-9-7-8-11-21-16)18(25)22-17(24)13-19(20,5)6/h7-9,11,14-15H,10,12-13H2,1-6H3,(H,22,24,25)
InChIKeyXAMGWVXHVOLSRF-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.90
Rot. Bonds6

About 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione

3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione (PubChem CID 13319688) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione
PubChem CID13319688
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione
SMILESCC(C)N(CCC1(c2ccccn2)C(=O)NC(=O)CC1(C)C)C(C)C
InChIInChI=1S/C20H31N3O2/c1-14(2)23(15(3)4)12-10-20(16-9-7-8-11-21-16)18(25)22-17(24)13-19(20,5)6/h7-9,11,14-15H,10,12-13H2,1-6H3,(H,22,24,25)
InChIKeyXAMGWVXHVOLSRF-UHFFFAOYSA-N
XLogP2.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
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-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione?
The IUPAC name of 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione (CID 13319688) is 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione?
The canonical SMILES for 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione is CC(C)N(CCC1(c2ccccn2)C(=O)NC(=O)CC1(C)C)C(C)C.
What is the InChIKey of 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione?
The InChIKey is XAMGWVXHVOLSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14(2)23(15(3)4)12-10-20(16-9-7-8-11-21-16)18(25)22-17(24)13-19(20,5)6/h7-9,11,14-15H,10,12-13H2,1-6H3,(H,22,24,25).
What are the key properties of 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione?
3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione has a molecular weight of 345.49 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[di(propan-2-yl)amino]ethyl]-4,4-dimethyl-3-pyridin-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 13319688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).