3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione

C14H23N3O3 — CID 66068190

IUPAC3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)CCC1CCCCN1
InChIInChI=1S/C14H23N3O3/c1-2-11-14(20)16-12(18)9-17(11)13(19)7-6-10-5-3-4-8-15-10/h10-11,15H,2-9H2,1H3,(H,16,18,20)
InChIKeyHTJHKSNXOJPRLO-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.17
Rot. Bonds4

About 3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione

3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione (PubChem CID 66068190) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione
PubChem CID66068190
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)CCC1CCCCN1
InChIInChI=1S/C14H23N3O3/c1-2-11-14(20)16-12(18)9-17(11)13(19)7-6-10-5-3-4-8-15-10/h10-11,15H,2-9H2,1H3,(H,16,18,20)
InChIKeyHTJHKSNXOJPRLO-UHFFFAOYSA-N
XLogP0.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.17
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

4-(2-ethyl-3,5-dioxopiperazin-1-yl)-4-oxobutanoic acid
CID 66067143
4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione
CID 66067412
3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione
CID 66069081
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530
3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione
CID 66069286
4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione
CID 79854148
4-[3-(2-aminophenyl)propanoyl]-3-ethylpiperazine-2,6-dione
CID 66067254
3-(2-ethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66069349
4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one
CID 65363828
prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate
CID 66069309
4-[2-(4-bromophenyl)acetyl]-3-ethylpiperazine-2,6-dione
CID 66067758
3-ethyl-4-[(3S)-piperidine-3-carbonyl]piperazine-2,6-dione
CID 81134425

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione (CID 66068190) is 3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)CCC1CCCCN1.
What is the InChIKey of 3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione?
The InChIKey is HTJHKSNXOJPRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-11-14(20)16-12(18)9-17(11)13(19)7-6-10-5-3-4-8-15-10/h10-11,15H,2-9H2,1H3,(H,16,18,20).
What are the key properties of 3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione?
3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione has a molecular weight of 281.36 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione is sourced from PubChem (CID 66068190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).