(3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide

C12H21F2N3O — CID 67294000

IUPAC(3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCC(F)(F)CC1)[C@@H]1CCNC1
InChIInChI=1S/C12H21F2N3O/c13-12(14)2-6-17(7-3-12)8-5-16-11(18)10-1-4-15-9-10/h10,15H,1-9H2,(H,16,18)/t10-/m1/s1
InChIKeyDBFQUKYGHUSVBM-SNVBAGLBSA-N
MW261.32 g/mol
LogP0.44
Rot. Bonds4

About (3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide

(3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 67294000) has the molecular formula C12H21F2N3O and a molecular weight of 261.32 g/mol. Its IUPAC name is (3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID67294000
Molecular FormulaC12H21F2N3O
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Name(3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCC(F)(F)CC1)[C@@H]1CCNC1
InChIInChI=1S/C12H21F2N3O/c13-12(14)2-6-17(7-3-12)8-5-16-11(18)10-1-4-15-9-10/h10,15H,1-9H2,(H,16,18)/t10-/m1/s1
InChIKeyDBFQUKYGHUSVBM-SNVBAGLBSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide (CID 67294000) is (3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide is O=C(NCCN1CCC(F)(F)CC1)[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is DBFQUKYGHUSVBM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21F2N3O/c13-12(14)2-6-17(7-3-12)8-5-16-11(18)10-1-4-15-9-10/h10,15H,1-9H2,(H,16,18)/t10-/m1/s1.
What are the key properties of (3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
(3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 67294000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).