N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide

C25H32F2N4O2 — CID 19349073

IUPACN-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide
SMILESNc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C25H32F2N4O2/c26-24(27)13-9-19(10-14-24)25(33,18-5-2-1-3-6-18)23(32)30-20-11-15-31(16-12-20)17-21-7-4-8-22(28)29-21/h1-8,19-20,33H,9-17H2,(H2,28,29)(H,30,32)
InChIKeyXLXZDLLMPDMPDM-UHFFFAOYSA-N
MW458.55 g/mol
LogP3.46
Rot. Bonds6

About N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide

N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide (PubChem CID 19349073) has the molecular formula C25H32F2N4O2 and a molecular weight of 458.55 g/mol. Its IUPAC name is N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide
PubChem CID19349073
Molecular FormulaC25H32F2N4O2
Molecular Weight458.55 g/mol
Exact Mass458.25
IUPAC NameN-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide
SMILESNc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C25H32F2N4O2/c26-24(27)13-9-19(10-14-24)25(33,18-5-2-1-3-6-18)23(32)30-20-11-15-31(16-12-20)17-21-7-4-8-22(28)29-21/h1-8,19-20,33H,9-17H2,(H2,28,29)(H,30,32)
InChIKeyXLXZDLLMPDMPDM-UHFFFAOYSA-N
XLogP3.46
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide (CID 19349073) is N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide is Nc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCC(F)(F)CC3)CC2)n1.
What is the InChIKey of N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide?
The InChIKey is XLXZDLLMPDMPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N4O2/c26-24(27)13-9-19(10-14-24)25(33,18-5-2-1-3-6-18)23(32)30-20-11-15-31(16-12-20)17-21-7-4-8-22(28)29-21/h1-8,19-20,33H,9-17H2,(H2,28,29)(H,30,32).
What are the key properties of N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide?
N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide has a molecular weight of 458.55 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 19349073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).