(E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide

C20H23N3O2 — CID 98512279

IUPAC(E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
SMILESCOc1cccc(N2CCC[C@@H](NC(=O)/C=C/c3cccnc3)C2)c1
InChIInChI=1S/C20H23N3O2/c1-25-19-8-2-7-18(13-19)23-12-4-6-17(15-23)22-20(24)10-9-16-5-3-11-21-14-16/h2-3,5,7-11,13-14,17H,4,6,12,15H2,1H3,(H,22,24)/b10-9+/t17-/m1/s1
InChIKeyCLBWLXDEFVJKJY-OAGJVSPASA-N
MW337.42 g/mol
LogP2.89
Rot. Bonds5

About (E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 98512279) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
PubChem CID98512279
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
SMILESCOc1cccc(N2CCC[C@@H](NC(=O)/C=C/c3cccnc3)C2)c1
InChIInChI=1S/C20H23N3O2/c1-25-19-8-2-7-18(13-19)23-12-4-6-17(15-23)22-20(24)10-9-16-5-3-11-21-14-16/h2-3,5,7-11,13-14,17H,4,6,12,15H2,1H3,(H,22,24)/b10-9+/t17-/m1/s1
InChIKeyCLBWLXDEFVJKJY-OAGJVSPASA-N
XLogP2.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 100831445
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-2-(3-methyl-4-pyridinyl)acetamide
CID 124618191
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 71899115
(E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide
CID 27396979
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 78488507
6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide
CID 167744210
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 71992926
(2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 124861385

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide (CID 98512279) is (E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide is COc1cccc(N2CCC[C@@H](NC(=O)/C=C/c3cccnc3)C2)c1.
What is the InChIKey of (E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is CLBWLXDEFVJKJY-OAGJVSPASA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-19-8-2-7-18(13-19)23-12-4-6-17(15-23)22-20(24)10-9-16-5-3-11-21-14-16/h2-3,5,7-11,13-14,17H,4,6,12,15H2,1H3,(H,22,24)/b10-9+/t17-/m1/s1.
What are the key properties of (E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 337.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 98512279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).