N-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide

C17H24N2O3 — CID 51360902

IUPACN-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1C[C@@H](c2ccccc2)N(C(C)=O)C[C@H]1CO
InChIInChI=1S/C17H24N2O3/c1-12(21)18(3)16-9-17(14-7-5-4-6-8-14)19(13(2)22)10-15(16)11-20/h4-8,15-17,20H,9-11H2,1-3H3/t15-,16-,17-/m0/s1
InChIKeyKBNYBFRDDRDOGC-ULQDDVLXSA-N
MW304.39 g/mol
LogP1.44
Rot. Bonds3

About N-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide

N-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide (PubChem CID 51360902) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide
PubChem CID51360902
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1C[C@@H](c2ccccc2)N(C(C)=O)C[C@H]1CO
InChIInChI=1S/C17H24N2O3/c1-12(21)18(3)16-9-17(14-7-5-4-6-8-14)19(13(2)22)10-15(16)11-20/h4-8,15-17,20H,9-11H2,1-3H3/t15-,16-,17-/m0/s1
InChIKeyKBNYBFRDDRDOGC-ULQDDVLXSA-N
XLogP1.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide (CID 51360902) is N-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide is CC(=O)N(C)[C@H]1C[C@@H](c2ccccc2)N(C(C)=O)C[C@H]1CO.
What is the InChIKey of N-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide?
The InChIKey is KBNYBFRDDRDOGC-ULQDDVLXSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(21)18(3)16-9-17(14-7-5-4-6-8-14)19(13(2)22)10-15(16)11-20/h4-8,15-17,20H,9-11H2,1-3H3/t15-,16-,17-/m0/s1.
What are the key properties of N-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide?
N-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide has a molecular weight of 304.39 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 51360902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).