4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione

C14H20N4O2 — CID 103937468

IUPAC4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1ccc([C@H](N)CC)nc1
InChIInChI=1S/C14H20N4O2/c1-3-10(15)11-6-5-9(7-16-11)18-8-13(19)17-14(20)12(18)4-2/h5-7,10,12H,3-4,8,15H2,1-2H3,(H,17,19,20)/t10-,12?/m1/s1
InChIKeyJEJDRLXGQQFODY-RWANSRKNSA-N
MW276.34 g/mol
LogP0.73
Rot. Bonds4

About 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione

4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione (PubChem CID 103937468) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione
PubChem CID103937468
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1ccc([C@H](N)CC)nc1
InChIInChI=1S/C14H20N4O2/c1-3-10(15)11-6-5-9(7-16-11)18-8-13(19)17-14(20)12(18)4-2/h5-7,10,12H,3-4,8,15H2,1-2H3,(H,17,19,20)/t10-,12?/m1/s1
InChIKeyJEJDRLXGQQFODY-RWANSRKNSA-N
XLogP0.73
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione with MolForge

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Related Compounds

4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]-3-methylpiperazine-2,6-dione
CID 83126993
4-[4-(1-aminoethyl)-3-hydroxyphenyl]-3-ethylpiperazine-2,6-dione
CID 79603828
(1S)-1-[5-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355142
(1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine
CID 103937411
1-[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridinyl]propan-1-amine
CID 102726759
(1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine
CID 103937439
(1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine
CID 103937555
1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 102883952
(1R)-1-[5-(2,3-dimethylthiomorpholin-4-yl)-2-pyridinyl]propan-1-amine
CID 104874543
3-methyl-4-(6-propanoyl-3-pyridinyl)piperazine-2,6-dione
CID 112583695
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-amine
CID 103936871
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-4-ol
CID 103936925

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione (CID 103937468) is 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1c1ccc([C@H](N)CC)nc1.
What is the InChIKey of 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione?
The InChIKey is JEJDRLXGQQFODY-RWANSRKNSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-10(15)11-6-5-9(7-16-11)18-8-13(19)17-14(20)12(18)4-2/h5-7,10,12H,3-4,8,15H2,1-2H3,(H,17,19,20)/t10-,12?/m1/s1.
What are the key properties of 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione?
4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione has a molecular weight of 276.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 103937468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).