N-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide

C14H16F2N2O3 — CID 172887689

IUPACN-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide
SMILESC=CC(=O)N1CCC(F)(F)[C@H](NC(=O)c2ccc(C)o2)C1
InChIInChI=1S/C14H16F2N2O3/c1-3-12(19)18-7-6-14(15,16)11(8-18)17-13(20)10-5-4-9(2)21-10/h3-5,11H,1,6-8H2,2H3,(H,17,20)/t11-/m1/s1
InChIKeyUMOLBQBGDOTYQJ-LLVKDONJSA-N
MW298.29 g/mol
LogP1.74
Rot. Bonds3

About N-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide

N-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide (PubChem CID 172887689) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is N-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide
PubChem CID172887689
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC NameN-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide
SMILESC=CC(=O)N1CCC(F)(F)[C@H](NC(=O)c2ccc(C)o2)C1
InChIInChI=1S/C14H16F2N2O3/c1-3-12(19)18-7-6-14(15,16)11(8-18)17-13(20)10-5-4-9(2)21-10/h3-5,11H,1,6-8H2,2H3,(H,17,20)/t11-/m1/s1
InChIKeyUMOLBQBGDOTYQJ-LLVKDONJSA-N
XLogP1.74
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide (CID 172887689) is N-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide is C=CC(=O)N1CCC(F)(F)[C@H](NC(=O)c2ccc(C)o2)C1.
What is the InChIKey of N-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide?
The InChIKey is UMOLBQBGDOTYQJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-3-12(19)18-7-6-14(15,16)11(8-18)17-13(20)10-5-4-9(2)21-10/h3-5,11H,1,6-8H2,2H3,(H,17,20)/t11-/m1/s1.
What are the key properties of N-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide?
N-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide has a molecular weight of 298.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 172887689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).