(E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide

C15H21N3O — CID 145156882

IUPAC(E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccccc1N1CCC(N)CC1
InChIInChI=1S/C15H21N3O/c1-17-15(19)7-6-12-4-2-3-5-14(12)18-10-8-13(16)9-11-18/h2-7,13H,8-11,16H2,1H3,(H,17,19)/b7-6+
InChIKeyZYIRZTGSDRZHLQ-VOTSOKGWSA-N
MW259.35 g/mol
LogP1.37
Rot. Bonds3

About (E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide

(E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide (PubChem CID 145156882) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide
PubChem CID145156882
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccccc1N1CCC(N)CC1
InChIInChI=1S/C15H21N3O/c1-17-15(19)7-6-12-4-2-3-5-14(12)18-10-8-13(16)9-11-18/h2-7,13H,8-11,16H2,1H3,(H,17,19)/b7-6+
InChIKeyZYIRZTGSDRZHLQ-VOTSOKGWSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide (CID 145156882) is (E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide is CNC(=O)/C=C/c1ccccc1N1CCC(N)CC1.
What is the InChIKey of (E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide?
The InChIKey is ZYIRZTGSDRZHLQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-15(19)7-6-12-4-2-3-5-14(12)18-10-8-13(16)9-11-18/h2-7,13H,8-11,16H2,1H3,(H,17,19)/b7-6+.
What are the key properties of (E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide?
(E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide has a molecular weight of 259.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 145156882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).