1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one

C14H23N3O2 — CID 62677214

IUPAC1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H23N3O2/c1-2-3-6-13(18)17-9-4-5-12(17)14(19)16-10-7-15-8-11-16/h2,12,15H,1,3-11H2
InChIKeyAWCDYZFZSYHJQD-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.38
Rot. Bonds4

About 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one

1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one (PubChem CID 62677214) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one
PubChem CID62677214
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H23N3O2/c1-2-3-6-13(18)17-9-4-5-12(17)14(19)16-10-7-15-8-11-16/h2,12,15H,1,3-11H2
InChIKeyAWCDYZFZSYHJQD-UHFFFAOYSA-N
XLogP0.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.38
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]but-3-en-1-one
CID 62677215
(2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid
CID 58070890
2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61175911
2-[(2-methylpropan-2-yl)oxy]-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 115949467
2-tert-butylsulfanyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61176844
1-[2-(hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 14788288
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 10679035
2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 61176281
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
N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 79154087
2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 61174938

Frequently Asked Questions

What is the IUPAC name of 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one?
The IUPAC name of 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one (CID 62677214) is 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one?
The canonical SMILES for 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one is C=CCCC(=O)N1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one?
The InChIKey is AWCDYZFZSYHJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-6-13(18)17-9-4-5-12(17)14(19)16-10-7-15-8-11-16/h2,12,15H,1,3-11H2.
What are the key properties of 1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one?
1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one has a molecular weight of 265.36 g/mol, XLogP of 0.38, 4 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]pent-4-en-1-one is sourced from PubChem (CID 62677214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).