(2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide

C17H29F2N3O2 — CID 124883627

IUPAC(2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCN(CC(F)F)CC1)[C@H]1CCCN1C1CCOCC1
InChIInChI=1S/C17H29F2N3O2/c18-16(19)12-21-8-3-13(4-9-21)20-17(23)15-2-1-7-22(15)14-5-10-24-11-6-14/h13-16H,1-12H2,(H,20,23)/t15-/m1/s1
InChIKeyXIEAFMRCKPEDGI-OAHLLOKOSA-N
MW345.43 g/mol
LogP1.48
Rot. Bonds5

About (2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide

(2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 124883627) has the molecular formula C17H29F2N3O2 and a molecular weight of 345.43 g/mol. Its IUPAC name is (2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID124883627
Molecular FormulaC17H29F2N3O2
Molecular Weight345.43 g/mol
Exact Mass345.22
IUPAC Name(2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCN(CC(F)F)CC1)[C@H]1CCCN1C1CCOCC1
InChIInChI=1S/C17H29F2N3O2/c18-16(19)12-21-8-3-13(4-9-21)20-17(23)15-2-1-7-22(15)14-5-10-24-11-6-14/h13-16H,1-12H2,(H,20,23)/t15-/m1/s1
InChIKeyXIEAFMRCKPEDGI-OAHLLOKOSA-N
XLogP1.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 124883627) is (2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide is O=C(NC1CCN(CC(F)F)CC1)[C@H]1CCCN1C1CCOCC1.
What is the InChIKey of (2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is XIEAFMRCKPEDGI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29F2N3O2/c18-16(19)12-21-8-3-13(4-9-21)20-17(23)15-2-1-7-22(15)14-5-10-24-11-6-14/h13-16H,1-12H2,(H,20,23)/t15-/m1/s1.
What are the key properties of (2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
(2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 124883627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).