(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide

C24H29F2N3O2 — CID 10836338

IUPAC(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C24H29F2N3O2/c25-23(26)12-9-19(16-23)24(31,18-6-2-1-3-7-18)22(30)28-20-10-14-29(15-11-20)17-21-8-4-5-13-27-21/h1-8,13,19-20,31H,9-12,14-17H2,(H,28,30)/t19-,24+/m1/s1
InChIKeyMTBIBWFHYCAYTO-DVECYGJZSA-N
MW429.51 g/mol
LogP3.49
Rot. Bonds6

About (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide

(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 10836338) has the molecular formula C24H29F2N3O2 and a molecular weight of 429.51 g/mol. Its IUPAC name is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
PubChem CID10836338
Molecular FormulaC24H29F2N3O2
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C24H29F2N3O2/c25-23(26)12-9-19(16-23)24(31,18-6-2-1-3-7-18)22(30)28-20-10-14-29(15-11-20)17-21-8-4-5-13-27-21/h1-8,13,19-20,31H,9-12,14-17H2,(H,28,30)/t19-,24+/m1/s1
InChIKeyMTBIBWFHYCAYTO-DVECYGJZSA-N
XLogP3.49
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide (CID 10836338) is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide is O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1.
What is the InChIKey of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is MTBIBWFHYCAYTO-DVECYGJZSA-N. The full InChI is InChI=1S/C24H29F2N3O2/c25-23(26)12-9-19(16-23)24(31,18-6-2-1-3-7-18)22(30)28-20-10-14-29(15-11-20)17-21-8-4-5-13-27-21/h1-8,13,19-20,31H,9-12,14-17H2,(H,28,30)/t19-,24+/m1/s1.
What are the key properties of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 429.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 10836338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).