N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide

C24H30F2N4O — CID 91353154

IUPACN-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide
SMILESNc1cccc(CN2CCC(NC(=O)C(c3ccccc3)C3CCC(F)(F)C3)CC2)n1
InChIInChI=1S/C24H30F2N4O/c25-24(26)12-9-18(15-24)22(17-5-2-1-3-6-17)23(31)29-19-10-13-30(14-11-19)16-20-7-4-8-21(27)28-20/h1-8,18-19,22H,9-16H2,(H2,27,28)(H,29,31)
InChIKeyAZYSOMRZUUUXCY-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.96
Rot. Bonds6

About N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide

N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide (PubChem CID 91353154) has the molecular formula C24H30F2N4O and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide
PubChem CID91353154
Molecular FormulaC24H30F2N4O
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC NameN-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide
SMILESNc1cccc(CN2CCC(NC(=O)C(c3ccccc3)C3CCC(F)(F)C3)CC2)n1
InChIInChI=1S/C24H30F2N4O/c25-24(26)12-9-18(15-24)22(17-5-2-1-3-6-17)23(31)29-19-10-13-30(14-11-19)16-20-7-4-8-21(27)28-20/h1-8,18-19,22H,9-16H2,(H2,27,28)(H,29,31)
InChIKeyAZYSOMRZUUUXCY-UHFFFAOYSA-N
XLogP3.96
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide?
The IUPAC name of N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide (CID 91353154) is N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide.
What is the SMILES notation for N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide?
The canonical SMILES for N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide is Nc1cccc(CN2CCC(NC(=O)C(c3ccccc3)C3CCC(F)(F)C3)CC2)n1.
What is the InChIKey of N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide?
The InChIKey is AZYSOMRZUUUXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N4O/c25-24(26)12-9-18(15-24)22(17-5-2-1-3-6-17)23(31)29-19-10-13-30(14-11-19)16-20-7-4-8-21(27)28-20/h1-8,18-19,22H,9-16H2,(H2,27,28)(H,29,31).
What are the key properties of N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide?
N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide has a molecular weight of 428.53 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-phenylacetamide is sourced from PubChem (CID 91353154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).