1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one

C13H21N3O2 — CID 62677215

IUPAC1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one
SMILESC=CCC(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C13H21N3O2/c1-2-4-12(17)16-8-3-5-11(16)13(18)15-9-6-14-7-10-15/h2,11,14H,1,3-10H2
InChIKeyGDFCHTPXQWFWPK-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.01
Rot. Bonds3

About 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one

1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one (PubChem CID 62677215) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one.

Molecular Properties

Compound Name1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one
PubChem CID62677215
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one
SMILESC=CCC(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C13H21N3O2/c1-2-4-12(17)16-8-3-5-11(16)13(18)15-9-6-14-7-10-15/h2,11,14H,1,3-10H2
InChIKeyGDFCHTPXQWFWPK-UHFFFAOYSA-N
XLogP-0.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.01
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-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 62677214
2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61175911
2-tert-butylsulfanyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61176844
2-[(2-methylpropan-2-yl)oxy]-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 115949467
1-[2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119415727
N-ethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 61176280
2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 61174938
N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 79154087
2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 61176281
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 119402982
(2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 59032011
3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one
CID 166270647

Frequently Asked Questions

What is the IUPAC name of 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one?
The IUPAC name of 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one (CID 62677215) is 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one.
What is the SMILES notation for 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one?
The canonical SMILES for 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one is C=CCC(=O)N1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one?
The InChIKey is GDFCHTPXQWFWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-4-12(17)16-8-3-5-11(16)13(18)15-9-6-14-7-10-15/h2,11,14H,1,3-10H2.
What are the key properties of 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one?
1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one has a molecular weight of 251.33 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one is sourced from PubChem (CID 62677215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).