N'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide

C19H23N3O3 — CID 95312423

IUPACN'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide
SMILESC#Cc1cccc(NC(=O)C(=O)NCCC(=O)N2CCCC[C@H]2C)c1
InChIInChI=1S/C19H23N3O3/c1-3-15-8-6-9-16(13-15)21-19(25)18(24)20-11-10-17(23)22-12-5-4-7-14(22)2/h1,6,8-9,13-14H,4-5,7,10-12H2,2H3,(H,20,24)(H,21,25)/t14-/m1/s1
InChIKeyHWWLZDZBJIPIAZ-CQSZACIVSA-N
MW341.41 g/mol
LogP1.51
Rot. Bonds4

About N'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide

N'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide (PubChem CID 95312423) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide.

Molecular Properties

Compound NameN'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide
PubChem CID95312423
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide
SMILESC#Cc1cccc(NC(=O)C(=O)NCCC(=O)N2CCCC[C@H]2C)c1
InChIInChI=1S/C19H23N3O3/c1-3-15-8-6-9-16(13-15)21-19(25)18(24)20-11-10-17(23)22-12-5-4-7-14(22)2/h1,6,8-9,13-14H,4-5,7,10-12H2,2H3,(H,20,24)(H,21,25)/t14-/m1/s1
InChIKeyHWWLZDZBJIPIAZ-CQSZACIVSA-N
XLogP1.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
CID 95733928
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 2582023
N-[(1-acetylpyrrolidin-2-yl)methyl]-N'-(3-ethynylphenyl)propanediamide
CID 166259559
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063
N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide
CID 95272247
N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-phenylmethoxyacetamide
CID 95286453
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520965
N-(3-ethynylphenyl)-2-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-oxoacetamide
CID 99612659
N-(3-ethynylphenyl)-2-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-oxoacetamide
CID 99612660
N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide
CID 95287547
N'-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961532
N'-(3-ethynylphenyl)-N-[1-(4-methylphenyl)pyrrolidin-3-yl]oxamide
CID 71875733

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide?
The IUPAC name of N'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide (CID 95312423) is N'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide.
What is the SMILES notation for N'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide?
The canonical SMILES for N'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide is C#Cc1cccc(NC(=O)C(=O)NCCC(=O)N2CCCC[C@H]2C)c1.
What is the InChIKey of N'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide?
The InChIKey is HWWLZDZBJIPIAZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-15-8-6-9-16(13-15)21-19(25)18(24)20-11-10-17(23)22-12-5-4-7-14(22)2/h1,6,8-9,13-14H,4-5,7,10-12H2,2H3,(H,20,24)(H,21,25)/t14-/m1/s1.
What are the key properties of N'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide?
N'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide has a molecular weight of 341.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide is sourced from PubChem (CID 95312423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).