2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide

C17H25N3O2 — CID 169115043

IUPAC2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CC[C@H](c2ccc(CN(C)C)cc2)N(C(=O)C(N)=O)C1
InChIInChI=1S/C17H25N3O2/c1-12-4-9-15(20(10-12)17(22)16(18)21)14-7-5-13(6-8-14)11-19(2)3/h5-8,12,15H,4,9-11H2,1-3H3,(H2,18,21)/t12-,15+/m0/s1
InChIKeyJQICHECFMOTWND-SWLSCSKDSA-N
MW303.41 g/mol
LogP1.53
Rot. Bonds3

About 2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide

2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 169115043) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID169115043
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CC[C@H](c2ccc(CN(C)C)cc2)N(C(=O)C(N)=O)C1
InChIInChI=1S/C17H25N3O2/c1-12-4-9-15(20(10-12)17(22)16(18)21)14-7-5-13(6-8-14)11-19(2)3/h5-8,12,15H,4,9-11H2,1-3H3,(H2,18,21)/t12-,15+/m0/s1
InChIKeyJQICHECFMOTWND-SWLSCSKDSA-N
XLogP1.53
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 169115043) is 2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide is C[C@H]1CC[C@H](c2ccc(CN(C)C)cc2)N(C(=O)C(N)=O)C1.
What is the InChIKey of 2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is JQICHECFMOTWND-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-4-9-15(20(10-12)17(22)16(18)21)14-7-5-13(6-8-14)11-19(2)3/h5-8,12,15H,4,9-11H2,1-3H3,(H2,18,21)/t12-,15+/m0/s1.
What are the key properties of 2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?
2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 303.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169115043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).