3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione

C19H28N2O3 — CID 19899503

IUPAC3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCOc1ccccc1C1(CCCN(C)C)C(=O)NC(=O)CC1(C)C
InChIInChI=1S/C19H28N2O3/c1-18(2)13-16(22)20-17(23)19(18,11-8-12-21(3)4)14-9-6-7-10-15(14)24-5/h6-7,9-10H,8,11-13H2,1-5H3,(H,20,22,23)
InChIKeyASSACWWNUGBQER-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.35
Rot. Bonds6

About 3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione

3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione (PubChem CID 19899503) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione
PubChem CID19899503
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCOc1ccccc1C1(CCCN(C)C)C(=O)NC(=O)CC1(C)C
InChIInChI=1S/C19H28N2O3/c1-18(2)13-16(22)20-17(23)19(18,11-8-12-21(3)4)14-9-6-7-10-15(14)24-5/h6-7,9-10H,8,11-13H2,1-5H3,(H,20,22,23)
InChIKeyASSACWWNUGBQER-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.35
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-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione (CID 19899503) is 3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione is COc1ccccc1C1(CCCN(C)C)C(=O)NC(=O)CC1(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is ASSACWWNUGBQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-18(2)13-16(22)20-17(23)19(18,11-8-12-21(3)4)14-9-6-7-10-15(14)24-5/h6-7,9-10H,8,11-13H2,1-5H3,(H,20,22,23).
What are the key properties of 3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione?
3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 332.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-3-(2-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 19899503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).