(3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide

C17H20F2N2O3 — CID 99832836

IUPAC(3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide
SMILESO=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@@H]1CCOC1
InChIInChI=1S/C17H20F2N2O3/c18-13-4-3-11(14(19)8-13)9-21-6-1-2-15(17(21)23)20-16(22)12-5-7-24-10-12/h3-4,8,12,15H,1-2,5-7,9-10H2,(H,20,22)/t12-,15-/m1/s1
InChIKeyDBPWROGCSXWRAD-IUODEOHRSA-N
MW338.35 g/mol
LogP1.61
Rot. Bonds4

About (3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide

(3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide (PubChem CID 99832836) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is (3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide
PubChem CID99832836
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name(3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide
SMILESO=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@@H]1CCOC1
InChIInChI=1S/C17H20F2N2O3/c18-13-4-3-11(14(19)8-13)9-21-6-1-2-15(17(21)23)20-16(22)12-5-7-24-10-12/h3-4,8,12,15H,1-2,5-7,9-10H2,(H,20,22)/t12-,15-/m1/s1
InChIKeyDBPWROGCSXWRAD-IUODEOHRSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide (CID 99832836) is (3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide is O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide?
The InChIKey is DBPWROGCSXWRAD-IUODEOHRSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c18-13-4-3-11(14(19)8-13)9-21-6-1-2-15(17(21)23)20-16(22)12-5-7-24-10-12/h3-4,8,12,15H,1-2,5-7,9-10H2,(H,20,22)/t12-,15-/m1/s1.
What are the key properties of (3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide?
(3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide has a molecular weight of 338.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 99832836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).