4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione

C14H23N5O2 — CID 66069633

IUPAC4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione
SMILESCCC(N)C(c1cnn(C)c1)N1CC(=O)NC(=O)C1CC
InChIInChI=1S/C14H23N5O2/c1-4-10(15)13(9-6-16-18(3)7-9)19-8-12(20)17-14(21)11(19)5-2/h6-7,10-11,13H,4-5,8,15H2,1-3H3,(H,17,20,21)
InChIKeyQHHWRWZFBZVWFJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.06
Rot. Bonds5

About 4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione

4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione (PubChem CID 66069633) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione
PubChem CID66069633
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione
SMILESCCC(N)C(c1cnn(C)c1)N1CC(=O)NC(=O)C1CC
InChIInChI=1S/C14H23N5O2/c1-4-10(15)13(9-6-16-18(3)7-9)19-8-12(20)17-14(21)11(19)5-2/h6-7,10-11,13H,4-5,8,15H2,1-3H3,(H,17,20,21)
InChIKeyQHHWRWZFBZVWFJ-UHFFFAOYSA-N
XLogP-0.06
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione
CID 66068482
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(1-methylpyrazol-4-yl)butan-2-amine
CID 102725549
4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione
CID 66068677
4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione
CID 66068681
1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054396
4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione
CID 66067337
4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one
CID 115290708
1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine
CID 63171805
4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-ethylpiperazine-2,6-dione
CID 103937468
[4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol
CID 81205355
4-[2-amino-1-(2-bromophenyl)butyl]-3-methylpiperazine-2,6-dione
CID 66063449
1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol
CID 62333824

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione (CID 66069633) is 4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione is CCC(N)C(c1cnn(C)c1)N1CC(=O)NC(=O)C1CC.
What is the InChIKey of 4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione?
The InChIKey is QHHWRWZFBZVWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-10(15)13(9-6-16-18(3)7-9)19-8-12(20)17-14(21)11(19)5-2/h6-7,10-11,13H,4-5,8,15H2,1-3H3,(H,17,20,21).
What are the key properties of 4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione?
4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66069633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).