2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide

C15H23F2N3O2 — CID 165434079

IUPAC2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H23F2N3O2/c1-2-6-18-13(21)11-19-7-3-12(10-19)14(22)20-8-4-15(16,17)5-9-20/h2,12H,1,3-11H2,(H,18,21)
InChIKeyZKUALFIRFLIEKX-UHFFFAOYSA-N
MW315.36 g/mol
LogP0.87
Rot. Bonds5

About 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide

2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 165434079) has the molecular formula C15H23F2N3O2 and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
PubChem CID165434079
Molecular FormulaC15H23F2N3O2
Molecular Weight315.36 g/mol
Exact Mass315.18
IUPAC Name2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H23F2N3O2/c1-2-6-18-13(21)11-19-7-3-12(10-19)14(22)20-8-4-15(16,17)5-9-20/h2,12H,1,3-11H2,(H,18,21)
InChIKeyZKUALFIRFLIEKX-UHFFFAOYSA-N
XLogP0.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 50.87
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

2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 165434146
2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 165434132
N-prop-2-enyl-2-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]acetamide
CID 163352513
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide
CID 114502335
2-[2-(piperidine-1-carbonyl)morpholin-4-yl]-N-prop-2-enylacetamide
CID 163345086
2-(3-aminopiperidin-1-yl)-N-prop-2-enylacetamide
CID 61297429
2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride
CID 119925040
ethyl (3S)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-3-carboxylate
CID 81339260
N-cyclohexyl-2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 166605706
(4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone
CID 165432913
[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165432887
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 78787885

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide (CID 165434079) is 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCC(C(=O)N2CCC(F)(F)CC2)C1.
What is the InChIKey of 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is ZKUALFIRFLIEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2/c1-2-6-18-13(21)11-19-7-3-12(10-19)14(22)20-8-4-15(16,17)5-9-20/h2,12H,1,3-11H2,(H,18,21).
What are the key properties of 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide?
2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 315.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 165434079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).