(E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide

C19H34N2O3 — CID 138726687

IUPAC(E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide
SMILESCC(C)/C=C/C(=O)NCCCN1CCC(OCC(=O)C(C)C)CC1
InChIInChI=1S/C19H34N2O3/c1-15(2)6-7-19(23)20-10-5-11-21-12-8-17(9-13-21)24-14-18(22)16(3)4/h6-7,15-17H,5,8-14H2,1-4H3,(H,20,23)/b7-6+
InChIKeyWGFXGWOPXAORLL-VOTSOKGWSA-N
MW338.49 g/mol
LogP2.41
Rot. Bonds10

About (E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide

(E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide (PubChem CID 138726687) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is (E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide
PubChem CID138726687
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name(E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide
SMILESCC(C)/C=C/C(=O)NCCCN1CCC(OCC(=O)C(C)C)CC1
InChIInChI=1S/C19H34N2O3/c1-15(2)6-7-19(23)20-10-5-11-21-12-8-17(9-13-21)24-14-18(22)16(3)4/h6-7,15-17H,5,8-14H2,1-4H3,(H,20,23)/b7-6+
InChIKeyWGFXGWOPXAORLL-VOTSOKGWSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide?
The IUPAC name of (E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide (CID 138726687) is (E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide.
What is the SMILES notation for (E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide?
The canonical SMILES for (E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide is CC(C)/C=C/C(=O)NCCCN1CCC(OCC(=O)C(C)C)CC1.
What is the InChIKey of (E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide?
The InChIKey is WGFXGWOPXAORLL-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-15(2)6-7-19(23)20-10-5-11-21-12-8-17(9-13-21)24-14-18(22)16(3)4/h6-7,15-17H,5,8-14H2,1-4H3,(H,20,23)/b7-6+.
What are the key properties of (E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide?
(E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide has a molecular weight of 338.49 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide is sourced from PubChem (CID 138726687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).