4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione

C16H28N2O3 — CID 104747633

IUPAC4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione
SMILESCCCNC(CN1C(=O)CC(C)(C)CC1=O)C1CCOC1
InChIInChI=1S/C16H28N2O3/c1-4-6-17-13(12-5-7-21-11-12)10-18-14(19)8-16(2,3)9-15(18)20/h12-13,17H,4-11H2,1-3H3
InChIKeyDMQGXIFBAWGGRP-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.57
Rot. Bonds6

About 4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione

4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione (PubChem CID 104747633) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione
PubChem CID104747633
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione
SMILESCCCNC(CN1C(=O)CC(C)(C)CC1=O)C1CCOC1
InChIInChI=1S/C16H28N2O3/c1-4-6-17-13(12-5-7-21-11-12)10-18-14(19)8-16(2,3)9-15(18)20/h12-13,17H,4-11H2,1-3H3
InChIKeyDMQGXIFBAWGGRP-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747873
1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one
CID 104747569
3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104747837
N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104745193
1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione
CID 104747581
1-[2-cyclohexyl-2-(ethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione
CID 104747634
4,4-dimethyl-1-[2-(propylamino)butyl]piperidine-2,6-dione
CID 62933776
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione
CID 104747332
1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747098
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104754712

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione?
The IUPAC name of 4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione (CID 104747633) is 4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione?
The canonical SMILES for 4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione is CCCNC(CN1C(=O)CC(C)(C)CC1=O)C1CCOC1.
What is the InChIKey of 4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione?
The InChIKey is DMQGXIFBAWGGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-6-17-13(12-5-7-21-11-12)10-18-14(19)8-16(2,3)9-15(18)20/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione?
4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione has a molecular weight of 296.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 104747633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).