N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide

C17H23N3O2 — CID 56714508

IUPACN'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide
SMILESC=Cc1cccc(CN2CCCC(CNC(=O)C(N)=O)C2)c1
InChIInChI=1S/C17H23N3O2/c1-2-13-5-3-6-14(9-13)11-20-8-4-7-15(12-20)10-19-17(22)16(18)21/h2-3,5-6,9,15H,1,4,7-8,10-12H2,(H2,18,21)(H,19,22)
InChIKeyFKJSPDVQAIITNP-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.14
Rot. Bonds5

About N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide

N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide (PubChem CID 56714508) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide
PubChem CID56714508
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide
SMILESC=Cc1cccc(CN2CCCC(CNC(=O)C(N)=O)C2)c1
InChIInChI=1S/C17H23N3O2/c1-2-13-5-3-6-14(9-13)11-20-8-4-7-15(12-20)10-19-17(22)16(18)21/h2-3,5-6,9,15H,1,4,7-8,10-12H2,(H2,18,21)(H,19,22)
InChIKeyFKJSPDVQAIITNP-UHFFFAOYSA-N
XLogP1.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95226196
1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 154865397
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 98848393
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid
CID 135324861
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
CID 71936440
N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 45228883
N-[[(3S)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide
CID 95230202

Frequently Asked Questions

What is the IUPAC name of N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide?
The IUPAC name of N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide (CID 56714508) is N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide.
What is the SMILES notation for N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide?
The canonical SMILES for N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide is C=Cc1cccc(CN2CCCC(CNC(=O)C(N)=O)C2)c1.
What is the InChIKey of N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide?
The InChIKey is FKJSPDVQAIITNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-13-5-3-6-14(9-13)11-20-8-4-7-15(12-20)10-19-17(22)16(18)21/h2-3,5-6,9,15H,1,4,7-8,10-12H2,(H2,18,21)(H,19,22).
What are the key properties of N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide?
N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide has a molecular weight of 301.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide is sourced from PubChem (CID 56714508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).