1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione

C11H15N3O2 — CID 134175738

IUPAC1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCc1cn[nH]c1
InChIInChI=1S/C11H15N3O2/c15-10-4-1-5-11(16)14(10)6-2-3-9-7-12-13-8-9/h7-8H,1-6H2,(H,12,13)
InChIKeyCAVPXLVZFNOQSG-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.88
Rot. Bonds4

About 1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione

1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione (PubChem CID 134175738) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione
PubChem CID134175738
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCc1cn[nH]c1
InChIInChI=1S/C11H15N3O2/c15-10-4-1-5-11(16)14(10)6-2-3-9-7-12-13-8-9/h7-8H,1-6H2,(H,12,13)
InChIKeyCAVPXLVZFNOQSG-UHFFFAOYSA-N
XLogP0.88
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-pyrazol-4-yl)piperidine-2,6-dione
CID 166739211
1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 24790680
1-(cyclobutylcarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-4-piperidinecarboxamide
CID 72851681
4-[3-(N-6-aminocaproyl)aminopropyl]-pyrazole
CID 22754935
N,N-dimethyl-1-[4-(1H-pyrazol-4-yl)butanoyl]-4-azepanamine
CID 56908749
N-(cis-4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
CID 74245889
N-[2-Methyl-2-(4-methylpiperazin-1-YL)propyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206842
N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 125162490
N-cyclohexyl-N-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)propanamide
CID 132425753
4,4-difluoro-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine
CID 74244963
1-[4-(1H-pyrazol-4-yl)butanoyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 124215608
1-[3-(1H-pyrazol-4-yl)propanoyl]-4-(trifluoromethyl)piperidine
CID 131904704

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione?
The IUPAC name of 1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione (CID 134175738) is 1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione?
The canonical SMILES for 1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCCc1cn[nH]c1.
What is the InChIKey of 1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione?
The InChIKey is CAVPXLVZFNOQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-10-4-1-5-11(16)14(10)6-2-3-9-7-12-13-8-9/h7-8H,1-6H2,(H,12,13).
What are the key properties of 1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione?
1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione has a molecular weight of 221.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione is sourced from PubChem (CID 134175738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).