(4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone

C22H26F2N2O — CID 166908944

IUPAC(4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone
SMILESNC1CCN(C(=O)C23CC4CC5CC(c6ccccc6)(C2)C45C3)CC1(F)F
InChIInChI=1S/C22H26F2N2O/c23-22(24)13-26(7-6-17(22)25)18(27)19-9-15-8-16-10-20(11-19,21(15,16)12-19)14-4-2-1-3-5-14/h1-5,15-17H,6-13,25H2
InChIKeyXBYNTEPBWZWVBS-UHFFFAOYSA-N
MW372.46 g/mol
LogP3.33
Rot. Bonds2

About (4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone

(4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone (PubChem CID 166908944) has the molecular formula C22H26F2N2O and a molecular weight of 372.46 g/mol. Its IUPAC name is (4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone
PubChem CID166908944
Molecular FormulaC22H26F2N2O
Molecular Weight372.46 g/mol
Exact Mass372.20
IUPAC Name(4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone
SMILESNC1CCN(C(=O)C23CC4CC5CC(c6ccccc6)(C2)C45C3)CC1(F)F
InChIInChI=1S/C22H26F2N2O/c23-22(24)13-26(7-6-17(22)25)18(27)19-9-15-8-16-10-20(11-19,21(15,16)12-19)14-4-2-1-3-5-14/h1-5,15-17H,6-13,25H2
InChIKeyXBYNTEPBWZWVBS-UHFFFAOYSA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone?
The IUPAC name of (4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone (CID 166908944) is (4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone.
What is the SMILES notation for (4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone?
The canonical SMILES for (4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone is NC1CCN(C(=O)C23CC4CC5CC(c6ccccc6)(C2)C45C3)CC1(F)F.
What is the InChIKey of (4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone?
The InChIKey is XBYNTEPBWZWVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O/c23-22(24)13-26(7-6-17(22)25)18(27)19-9-15-8-16-10-20(11-19,21(15,16)12-19)14-4-2-1-3-5-14/h1-5,15-17H,6-13,25H2.
What are the key properties of (4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone?
(4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone has a molecular weight of 372.46 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-difluoropiperidin-1-yl)-(3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone is sourced from PubChem (CID 166908944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).