2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide

C21H25N3O2 — CID 167033734

IUPAC2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
SMILESCc1cncc(NC(=O)C(=O)N2C(c3ccccc3)CC[C@H](C)[C@H]2C)c1
InChIInChI=1S/C21H25N3O2/c1-14-11-18(13-22-12-14)23-20(25)21(26)24-16(3)15(2)9-10-19(24)17-7-5-4-6-8-17/h4-8,11-13,15-16,19H,9-10H2,1-3H3,(H,23,25)/t15-,16+,19?/m0/s1
InChIKeyNSOOLGNLWQNCKX-GWFKTICUSA-N
MW351.45 g/mol
LogP3.72
Rot. Bonds2

About 2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide

2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide (PubChem CID 167033734) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
PubChem CID167033734
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
SMILESCc1cncc(NC(=O)C(=O)N2C(c3ccccc3)CC[C@H](C)[C@H]2C)c1
InChIInChI=1S/C21H25N3O2/c1-14-11-18(13-22-12-14)23-20(25)21(26)24-16(3)15(2)9-10-19(24)17-7-5-4-6-8-17/h4-8,11-13,15-16,19H,9-10H2,1-3H3,(H,23,25)/t15-,16+,19?/m0/s1
InChIKeyNSOOLGNLWQNCKX-GWFKTICUSA-N
XLogP3.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide with MolForge

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Launch Full Analysis

Related Compounds

5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167034329
2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 177382932
2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 164752180
lithium 2-(2,3-dimethyl-6-phenylpiperidin-1-yl)-2-oxoacetate
CID 164753715
N-(5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide
CID 177382925
N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide
CID 164750645
2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 167033207
N-(5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)acetamide
CID 177382923
2-(2-methylpiperidin-1-yl)-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 177382926
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
lithium;1-(2,3-dimethyl-6-phenylpiperidin-1-yl)ethane-1,2-dione;hydrate
CID 175470998
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 167033892

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide (CID 167033734) is 2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide is Cc1cncc(NC(=O)C(=O)N2C(c3ccccc3)CC[C@H](C)[C@H]2C)c1.
What is the InChIKey of 2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
The InChIKey is NSOOLGNLWQNCKX-GWFKTICUSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-11-18(13-22-12-14)23-20(25)21(26)24-16(3)15(2)9-10-19(24)17-7-5-4-6-8-17/h4-8,11-13,15-16,19H,9-10H2,1-3H3,(H,23,25)/t15-,16+,19?/m0/s1.
What are the key properties of 2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide has a molecular weight of 351.45 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 167033734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).