4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione

C14H24N2O2 — CID 103072355

IUPAC4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione
SMILESC=C(CNCCC)CN1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C14H24N2O2/c1-5-6-15-9-11(2)10-16-12(17)7-14(3,4)8-13(16)18/h15H,2,5-10H2,1,3-4H3
InChIKeyBUZKTJDMYIHNDQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.72
Rot. Bonds6

About 4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione

4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione (PubChem CID 103072355) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione
PubChem CID103072355
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione
SMILESC=C(CNCCC)CN1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C14H24N2O2/c1-5-6-15-9-11(2)10-16-12(17)7-14(3,4)8-13(16)18/h15H,2,5-10H2,1,3-4H3
InChIKeyBUZKTJDMYIHNDQ-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol
CID 103071087
7-fluoro-1-[2-(propylaminomethyl)prop-2-enyl]-3,4-dihydroquinolin-2-one
CID 103071710
2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103070736
3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one
CID 103071851
2-[[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)acetyl]amino]acetic acid
CID 62932062
5-propyl-1-[2-(propylaminomethyl)prop-2-enyl]azepan-2-one
CID 103072526
1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione
CID 103073041
4,4-dimethyl-1-[2-(propylamino)butyl]piperidine-2,6-dione
CID 62933776
7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103072215
2-(1,4-oxazepan-4-ylmethyl)-N-propylprop-2-en-1-amine
CID 103070419
2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068925
5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione
CID 103071778

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione?
The IUPAC name of 4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione (CID 103072355) is 4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione.
What is the SMILES notation for 4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione?
The canonical SMILES for 4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione is C=C(CNCCC)CN1C(=O)CC(C)(C)CC1=O.
What is the InChIKey of 4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione?
The InChIKey is BUZKTJDMYIHNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-6-15-9-11(2)10-16-12(17)7-14(3,4)8-13(16)18/h15H,2,5-10H2,1,3-4H3.
What are the key properties of 4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione?
4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione has a molecular weight of 252.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione is sourced from PubChem (CID 103072355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).