3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione

C10H16N2O2 — CID 82505588

IUPAC3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione
SMILESO=C(CC1CC1)C(=O)N1CCNCC1
InChIInChI=1S/C10H16N2O2/c13-9(7-8-1-2-8)10(14)12-5-3-11-4-6-12/h8,11H,1-7H2
InChIKeyICBCOXVQFUFSRP-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.21
Rot. Bonds3

About 3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione

3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione (PubChem CID 82505588) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione
PubChem CID82505588
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione
SMILESO=C(CC1CC1)C(=O)N1CCNCC1
InChIInChI=1S/C10H16N2O2/c13-9(7-8-1-2-8)10(14)12-5-3-11-4-6-12/h8,11H,1-7H2
InChIKeyICBCOXVQFUFSRP-UHFFFAOYSA-N
XLogP-0.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Enmd-1068
CID 9950925
4-(Cyclopentanecarbonyl)piperazin-2-one
CID 833668
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide
CID 14877502
(3S,6S)-3-(4-aminobutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 57393165
(3S,6S)-4-(cyclopropanecarbonyl)-3,6-diisobutyl-piperazin-2-one
CID 76325279
4-(4-Methylpentanoyl)piperazin-2-one
CID 40231374
Pipecolyl-leucyl-glycinamide
CID 128422
cyclohexyl-N-(2-oxo-2-piperidylethyl)carboxamide
CID 799930
4-(2-Amino-4-methylpentanoyl)piperazin-2-one
CID 24692587
N-cyclopropyl-2-[2-(2-methylpropyl)-3-oxopiperazin-1-yl]acetamide
CID 121515957
1-ethyl-N-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]piperidine-2-carboxamide
CID 164637911
1-(2-Methylcyclopropanecarbonyl)piperazine
CID 16228148

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione?
The IUPAC name of 3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione (CID 82505588) is 3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione.
What is the SMILES notation for 3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione?
The canonical SMILES for 3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione is O=C(CC1CC1)C(=O)N1CCNCC1.
What is the InChIKey of 3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione?
The InChIKey is ICBCOXVQFUFSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-9(7-8-1-2-8)10(14)12-5-3-11-4-6-12/h8,11H,1-7H2.
What are the key properties of 3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione?
3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione has a molecular weight of 196.25 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione is sourced from PubChem (CID 82505588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).