(4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone

C21H24N2O2 — CID 25279248

IUPAC(4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
SMILESC=Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C21H24N2O2/c1-3-16-6-8-17(9-7-16)21(24)23-14-4-5-19(15-23)22-18-10-12-20(25-2)13-11-18/h3,6-13,19,22H,1,4-5,14-15H2,2H3/t19-/m1/s1
InChIKeyWYCGGUUPMYHUKJ-LJQANCHMSA-N
MW336.44 g/mol
LogP4.05
Rot. Bonds5

About (4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone

(4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone (PubChem CID 25279248) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
PubChem CID25279248
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
SMILESC=Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C21H24N2O2/c1-3-16-6-8-17(9-7-16)21(24)23-14-4-5-19(15-23)22-18-10-12-20(25-2)13-11-18/h3,6-13,19,22H,1,4-5,14-15H2,2H3/t19-/m1/s1
InChIKeyWYCGGUUPMYHUKJ-LJQANCHMSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 25275365
[3-(4-methoxyanilino)piperidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 45204907
methyl 4-[(3R)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]benzoate
CID 25275922
4-[(3R)-3-(3,4-dimethylanilino)piperidine-1-carbonyl]benzaldehyde
CID 42462897
N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide
CID 95727361
1-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-2-phenylsulfanylethanone
CID 42101235
1-benzofuran-2-yl-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 42532487
3-[3-(4-methoxyanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 45172660
methyl 4-[3-(3,4-difluoroanilino)piperidine-1-carbonyl]benzoate
CID 24793090
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
(3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 42509571

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone?
The IUPAC name of (4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone (CID 25279248) is (4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone is C=Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(OC)cc3)C2)cc1.
What is the InChIKey of (4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone?
The InChIKey is WYCGGUUPMYHUKJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-16-6-8-17(9-7-16)21(24)23-14-4-5-19(15-23)22-18-10-12-20(25-2)13-11-18/h3,6-13,19,22H,1,4-5,14-15H2,2H3/t19-/m1/s1.
What are the key properties of (4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone?
(4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 25279248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).