3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione

C15H25N3O3 — CID 66073855

IUPAC3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione
SMILESCCCC1(C(=O)N2CC(=O)NC(=O)C2(C)C)CCCNC1
InChIInChI=1S/C15H25N3O3/c1-4-6-15(7-5-8-16-10-15)13(21)18-9-11(19)17-12(20)14(18,2)3/h16H,4-10H2,1-3H3,(H,17,19,20)
InChIKeyJLWOJVJYBIHHSN-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.42
Rot. Bonds3

About 3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione

3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione (PubChem CID 66073855) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione
PubChem CID66073855
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione
SMILESCCCC1(C(=O)N2CC(=O)NC(=O)C2(C)C)CCCNC1
InChIInChI=1S/C15H25N3O3/c1-4-6-15(7-5-8-16-10-15)13(21)18-9-11(19)17-12(20)14(18,2)3/h16H,4-10H2,1-3H3,(H,17,19,20)
InChIKeyJLWOJVJYBIHHSN-UHFFFAOYSA-N
XLogP0.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.42
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

(2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63217718
(3-propylpiperidin-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743759
(3-hydroxy-3-methylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 103355905
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone
CID 55164111
(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63163762
(4-ethylpiperazin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 55177029
(4-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132180
(3,5-dimethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132443
8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(3-propylpiperidin-3-yl)methanone
CID 66369459
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
(3-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63130056
3-ethyl-4-(3-propylpiperidine-3-carbonyl)piperazin-2-one
CID 63600542

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione (CID 66073855) is 3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione is CCCC1(C(=O)N2CC(=O)NC(=O)C2(C)C)CCCNC1.
What is the InChIKey of 3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione?
The InChIKey is JLWOJVJYBIHHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-4-6-15(7-5-8-16-10-15)13(21)18-9-11(19)17-12(20)14(18,2)3/h16H,4-10H2,1-3H3,(H,17,19,20).
What are the key properties of 3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione?
3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione has a molecular weight of 295.38 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66073855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).