4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one

C12H21N3O2 — CID 63600881

IUPAC4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CCNC1CC1
InChIInChI=1S/C12H21N3O2/c1-2-10-12(17)14-7-8-15(10)11(16)5-6-13-9-3-4-9/h9-10,13H,2-8H2,1H3,(H,14,17)
InChIKeyYUZRLAIHVPGABD-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.13
Rot. Bonds5

About 4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one

4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one (PubChem CID 63600881) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one
PubChem CID63600881
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CCNC1CC1
InChIInChI=1S/C12H21N3O2/c1-2-10-12(17)14-7-8-15(10)11(16)5-6-13-9-3-4-9/h9-10,13H,2-8H2,1H3,(H,14,17)
InChIKeyYUZRLAIHVPGABD-UHFFFAOYSA-N
XLogP-0.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
CID 78947868
(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one
CID 124559943
N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide
CID 63601505
3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812
3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 63600127
4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one
CID 63600887
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride
CID 119773833
butyl 2-[1-[2-(cyclohexylamino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54816661
3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one
CID 63940202
3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63600882

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one (CID 63600881) is 4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)CCNC1CC1.
What is the InChIKey of 4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one?
The InChIKey is YUZRLAIHVPGABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-10-12(17)14-7-8-15(10)11(16)5-6-13-9-3-4-9/h9-10,13H,2-8H2,1H3,(H,14,17).
What are the key properties of 4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one?
4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 63600881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).