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

C20H23N3O2 — CID 177382932

IUPAC2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
SMILESCc1cncc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C20H23N3O2/c1-14-8-9-18(16-6-4-3-5-7-16)23(13-14)20(25)19(24)22-17-10-15(2)11-21-12-17/h3-7,10-12,14,18H,8-9,13H2,1-2H3,(H,22,24)/t14-,18-/m1/s1
InChIKeyQTEUKKSXBURGBJ-RDTXWAMCSA-N
MW337.42 g/mol
LogP3.33
Rot. Bonds2

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

2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide (PubChem CID 177382932) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
PubChem CID177382932
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
SMILESCc1cncc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C20H23N3O2/c1-14-8-9-18(16-6-4-3-5-7-16)23(13-14)20(25)19(24)22-17-10-15(2)11-21-12-17/h3-7,10-12,14,18H,8-9,13H2,1-2H3,(H,22,24)/t14-,18-/m1/s1
InChIKeyQTEUKKSXBURGBJ-RDTXWAMCSA-N
XLogP3.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 164752180
N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide
CID 164750645
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 167033892
2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 167033734
deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid
CID 165081591
5-[[2-[(5S)-5-methyl-2-pyridin-4-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033588
2-ethyl-5-[[2-[(2S,5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750286
5-[[2-[(2S,5R)-5-methyl-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164751359
5-[[2-[(5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167034359
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-5-methyl-2-pyridin-3-ylpiperidin-1-yl]-2-oxoacetamide
CID 167034069
N-(5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide
CID 177382925
N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-(5-methyl-2-phenylpiperidin-1-yl)-2-oxoacetamide
CID 164753441

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide (CID 177382932) is 2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide is Cc1cncc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)c1.
What is the InChIKey of 2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
The InChIKey is QTEUKKSXBURGBJ-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-8-9-18(16-6-4-3-5-7-16)23(13-14)20(25)19(24)22-17-10-15(2)11-21-12-17/h3-7,10-12,14,18H,8-9,13H2,1-2H3,(H,22,24)/t14-,18-/m1/s1.
What are the key properties of 2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide has a molecular weight of 337.42 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 177382932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).