(E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one

C19H24F2N2O2S — CID 45209137

IUPAC(E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one
SMILESC/C=C/CC(=O)N1CCCC1c1ccc(C(=O)N2CCCC(F)(F)C2)s1
InChIInChI=1S/C19H24F2N2O2S/c1-2-3-7-17(24)23-12-4-6-14(23)15-8-9-16(26-15)18(25)22-11-5-10-19(20,21)13-22/h2-3,8-9,14H,4-7,10-13H2,1H3/b3-2+
InChIKeyKDMPAHMMKOJYLO-NSCUHMNNSA-N
MW382.48 g/mol
LogP4.25
Rot. Bonds4

About (E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one

(E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one (PubChem CID 45209137) has the molecular formula C19H24F2N2O2S and a molecular weight of 382.48 g/mol. Its IUPAC name is (E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one
PubChem CID45209137
Molecular FormulaC19H24F2N2O2S
Molecular Weight382.48 g/mol
Exact Mass382.15
IUPAC Name(E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one
SMILESC/C=C/CC(=O)N1CCCC1c1ccc(C(=O)N2CCCC(F)(F)C2)s1
InChIInChI=1S/C19H24F2N2O2S/c1-2-3-7-17(24)23-12-4-6-14(23)15-8-9-16(26-15)18(25)22-11-5-10-19(20,21)13-22/h2-3,8-9,14H,4-7,10-13H2,1H3/b3-2+
InChIKeyKDMPAHMMKOJYLO-NSCUHMNNSA-N
XLogP4.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one?
The IUPAC name of (E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one (CID 45209137) is (E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one.
What is the SMILES notation for (E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one?
The canonical SMILES for (E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one is C/C=C/CC(=O)N1CCCC1c1ccc(C(=O)N2CCCC(F)(F)C2)s1.
What is the InChIKey of (E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one?
The InChIKey is KDMPAHMMKOJYLO-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H24F2N2O2S/c1-2-3-7-17(24)23-12-4-6-14(23)15-8-9-16(26-15)18(25)22-11-5-10-19(20,21)13-22/h2-3,8-9,14H,4-7,10-13H2,1H3/b3-2+.
What are the key properties of (E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one?
(E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one has a molecular weight of 382.48 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]pent-3-en-1-one is sourced from PubChem (CID 45209137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).