(2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone

C18H24F2N2O2 — CID 15888010

IUPAC(2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone
SMILESNC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1
InChIInChI=1S/C18H24F2N2O2/c19-17(20)9-6-14(12-17)18(24,13-4-2-1-3-5-13)16(23)22-10-7-15(21)8-11-22/h1-5,14-15,24H,6-12,21H2/t14-,18+/m1/s1
InChIKeyJBVFPTKZYNRPII-KDOFPFPSSA-N
MW338.40 g/mol
LogP2.26
Rot. Bonds3

About (2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone

(2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone (PubChem CID 15888010) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is (2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone
PubChem CID15888010
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name(2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone
SMILESNC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1
InChIInChI=1S/C18H24F2N2O2/c19-17(20)9-6-14(12-17)18(24,13-4-2-1-3-5-13)16(23)22-10-7-15(21)8-11-22/h1-5,14-15,24H,6-12,21H2/t14-,18+/m1/s1
InChIKeyJBVFPTKZYNRPII-KDOFPFPSSA-N
XLogP2.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone?
The IUPAC name of (2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone (CID 15888010) is (2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for (2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for (2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone is NC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1.
What is the InChIKey of (2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone?
The InChIKey is JBVFPTKZYNRPII-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c19-17(20)9-6-14(12-17)18(24,13-4-2-1-3-5-13)16(23)22-10-7-15(21)8-11-22/h1-5,14-15,24H,6-12,21H2/t14-,18+/m1/s1.
What are the key properties of (2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone?
(2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone has a molecular weight of 338.40 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-aminopiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 15888010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).