(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide

C16H28N2O3 — CID 156518094

IUPAC(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide
SMILESCC(C)/C=C/C(=O)NC1CCN(C(=O)COC(C)C)CC1
InChIInChI=1S/C16H28N2O3/c1-12(2)5-6-15(19)17-14-7-9-18(10-8-14)16(20)11-21-13(3)4/h5-6,12-14H,7-11H2,1-4H3,(H,17,19)/b6-5+
InChIKeyNWJVCPOTDLBEOF-AATRIKPKSA-N
MW296.41 g/mol
LogP1.73
Rot. Bonds6

About (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide

(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide (PubChem CID 156518094) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide.

Molecular Properties

Compound Name(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide
PubChem CID156518094
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide
SMILESCC(C)/C=C/C(=O)NC1CCN(C(=O)COC(C)C)CC1
InChIInChI=1S/C16H28N2O3/c1-12(2)5-6-15(19)17-14-7-9-18(10-8-14)16(20)11-21-13(3)4/h5-6,12-14H,7-11H2,1-4H3,(H,17,19)/b6-5+
InChIKeyNWJVCPOTDLBEOF-AATRIKPKSA-N
XLogP1.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
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)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide?
The IUPAC name of (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide (CID 156518094) is (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide.
What is the SMILES notation for (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide?
The canonical SMILES for (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide is CC(C)/C=C/C(=O)NC1CCN(C(=O)COC(C)C)CC1.
What is the InChIKey of (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide?
The InChIKey is NWJVCPOTDLBEOF-AATRIKPKSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(2)5-6-15(19)17-14-7-9-18(10-8-14)16(20)11-21-13(3)4/h5-6,12-14H,7-11H2,1-4H3,(H,17,19)/b6-5+.
What are the key properties of (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide?
(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide has a molecular weight of 296.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide is sourced from PubChem (CID 156518094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).