(2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide

About (2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide

(2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide (PubChem CID 54111593) has the molecular formula C26H33F2N3O3 and a molecular weight of 473.56 g/mol. Its IUPAC name is (2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name	(2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
PubChem CID	54111593
Molecular Formula	C26H33F2N3O3
Molecular Weight	473.56 g/mol
Exact Mass	473.25
IUPAC Name	(2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
SMILES	COc1cc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)ccc1N
InChI	InChI=1S/C26H33F2N3O3/c1-34-23-15-18(7-8-22(23)29)17-31-13-10-21(11-14-31)30-24(32)26(33,19-5-3-2-4-6-19)20-9-12-25(27,28)16-20/h2-8,15,20-21,33H,9-14,16-17,29H2,1H3,(H,30,32)/t20-,26+/m1/s1
InChIKey	NHMQQTIJAYTYLB-IBVKSMDESA-N
XLogP	3.68
TPSA	87.82 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aniline', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?

The IUPAC name of (2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide (CID 54111593) is (2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide.

What is the SMILES notation for (2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?

The canonical SMILES for (2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide is COc1cc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)ccc1N.

What is the InChIKey of (2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?

The InChIKey is NHMQQTIJAYTYLB-IBVKSMDESA-N. The full InChI is InChI=1S/C26H33F2N3O3/c1-34-23-15-18(7-8-22(23)29)17-31-13-10-21(11-14-31)30-24(32)26(33,19-5-3-2-4-6-19)20-9-12-25(27,28)16-20/h2-8,15,20-21,33H,9-14,16-17,29H2,1H3,(H,30,32)/t20-,26+/m1/s1.

What are the key properties of (2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?

(2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 473.56 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 54111593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).