2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide

C19H21N3O3 — CID 167033207

IUPAC2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
SMILESCc1cncc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(O)cc2)c1
InChIInChI=1S/C19H21N3O3/c1-13-10-15(12-20-11-13)21-18(24)19(25)22-9-3-2-4-17(22)14-5-7-16(23)8-6-14/h5-8,10-12,17,23H,2-4,9H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyRPHLIDSLWYFTBM-KRWDZBQOSA-N
MW339.40 g/mol
LogP2.79
Rot. Bonds2

About 2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide

2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide (PubChem CID 167033207) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
PubChem CID167033207
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
SMILESCc1cncc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(O)cc2)c1
InChIInChI=1S/C19H21N3O3/c1-13-10-15(12-20-11-13)21-18(24)19(25)22-9-3-2-4-17(22)14-5-7-16(23)8-6-14/h5-8,10-12,17,23H,2-4,9H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyRPHLIDSLWYFTBM-KRWDZBQOSA-N
XLogP2.79
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide
CID 177382925
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
2-[(2R,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 164752180
2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 177382932
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide
CID 164753661
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide
CID 175637266
N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide
CID 164750645
5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033243
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-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033170
5-[[2-oxo-2-[(2R)-2-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033649

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide (CID 167033207) is 2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide is Cc1cncc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(O)cc2)c1.
What is the InChIKey of 2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
The InChIKey is RPHLIDSLWYFTBM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-10-15(12-20-11-13)21-18(24)19(25)22-9-3-2-4-17(22)14-5-7-16(23)8-6-14/h5-8,10-12,17,23H,2-4,9H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of 2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide?
2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide has a molecular weight of 339.40 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 167033207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).