1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione

C14H25N3O2 — CID 103073041

IUPAC1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione
SMILESC=C(CNCCC)CN1CCN(C(C)C)C(=O)C1=O
InChIInChI=1S/C14H25N3O2/c1-5-6-15-9-12(4)10-16-7-8-17(11(2)3)14(19)13(16)18/h11,15H,4-10H2,1-3H3
InChIKeyGALJKFFQHWUQGX-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.62
Rot. Bonds7

About 1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione

1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione (PubChem CID 103073041) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione
PubChem CID103073041
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione
SMILESC=C(CNCCC)CN1CCN(C(C)C)C(=O)C1=O
InChIInChI=1S/C14H25N3O2/c1-5-6-15-9-12(4)10-16-7-8-17(11(2)3)14(19)13(16)18/h11,15H,4-10H2,1-3H3
InChIKeyGALJKFFQHWUQGX-UHFFFAOYSA-N
XLogP0.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(propylaminomethyl)prop-2-enyl]-1,3-oxazolidin-2-one
CID 103071851
2-[2-(propylaminomethyl)prop-2-enyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 103072998
5-propyl-1-[2-(propylaminomethyl)prop-2-enyl]azepan-2-one
CID 103072526
4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione
CID 103072355
1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione
CID 58550084
1-[2-(cyclopropylamino)ethyl]-4-propan-2-ylpiperazine-2,3-dione
CID 113463133
3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 113463092
N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071251
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N-propylprop-2-en-1-amine
CID 103071135
4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol
CID 103071087
4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide
CID 63572222
1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070392

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione?
The IUPAC name of 1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione (CID 103073041) is 1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione.
What is the SMILES notation for 1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione?
The canonical SMILES for 1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione is C=C(CNCCC)CN1CCN(C(C)C)C(=O)C1=O.
What is the InChIKey of 1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione?
The InChIKey is GALJKFFQHWUQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-6-15-9-12(4)10-16-7-8-17(11(2)3)14(19)13(16)18/h11,15H,4-10H2,1-3H3.
What are the key properties of 1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione?
1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione has a molecular weight of 267.37 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[2-(propylaminomethyl)prop-2-enyl]piperazine-2,3-dione is sourced from PubChem (CID 103073041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).