[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

C14H25N3O — CID 61176103

IUPAC[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCC(C)=CCN1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H25N3O/c1-12(2)5-9-16-8-3-4-13(16)14(18)17-10-6-15-7-11-17/h5,13,15H,3-4,6-11H2,1-2H3
InChIKeyOOFQSMRJHDXYGC-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.85
Rot. Bonds3

About [1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 61176103) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID61176103
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCC(C)=CCN1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H25N3O/c1-12(2)5-9-16-8-3-4-13(16)14(18)17-10-6-15-7-11-17/h5,13,15H,3-4,6-11H2,1-2H3
InChIKeyOOFQSMRJHDXYGC-UHFFFAOYSA-N
XLogP0.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 114188867
[1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 114525980
2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanenitrile
CID 61175138
[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 63192291
methyl (2S)-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 167424359
1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid
CID 43441382
piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone
CID 106727923
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176273
5-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pentanenitrile
CID 61177820
N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 61175724
[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 62346739
N-carbamoyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanamide
CID 61176660

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 61176103) is [1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is CC(C)=CCN1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of [1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is OOFQSMRJHDXYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(2)5-9-16-8-3-4-13(16)14(18)17-10-6-15-7-11-17/h5,13,15H,3-4,6-11H2,1-2H3.
What are the key properties of [1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 251.37 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 61176103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).