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

C16H30N2O3 — CID 156798942

IUPAC(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide;molecular hydrogen
SMILESCC(C)/C=C/C(=O)NC1CCN(C(=O)COC(C)C)CC1.[H][H]
InChIInChI=1S/C16H28N2O3.H2/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);1H/b6-5+;
InChIKeyLAWBJNRCCFOPHV-IPZCTEOASA-N
MW298.43 g/mol
LogP1.98
Rot. Bonds6

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

(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide;molecular hydrogen (PubChem CID 156798942) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide;molecular hydrogen.

Molecular Properties

Compound Name(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide;molecular hydrogen
PubChem CID156798942
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide;molecular hydrogen
SMILESCC(C)/C=C/C(=O)NC1CCN(C(=O)COC(C)C)CC1.[H][H]
InChIInChI=1S/C16H28N2O3.H2/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);1H/b6-5+;
InChIKeyLAWBJNRCCFOPHV-IPZCTEOASA-N
XLogP1.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.98
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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Related Compounds

N-[1-({1-[(2E)-but-2-en-1-yl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)piperidin-4-yl]-2-methoxyacetamide
CID 56712773
(E)-4-methyl-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide
CID 138726687
ethane;(E)-N-[3-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]propyl]pent-2-enamide;molecular hydrogen
CID 142609647
(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide
CID 156518094
(E)-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide
CID 156518243
ethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen
CID 156798893
(E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide
CID 156883214
ethane;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-5-piperidin-1-ylpent-3-en-2-one
CID 162375459
(Z)-1-[2-(1-aminoethyl)morpholin-4-yl]-2-methylpent-2-en-1-one
CID 81484267
N-(1-cyclopentylpiperidin-4-yl)-6-methyl-4-oxo-4H-pyran-2-carboxamide
CID 91769852
6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxo-4H-pyran-2-carboxamide
CID 91774922
N-[2-(1-isopropylpiperidin-4-yl)ethyl]-6-methyl-4-oxo-4H-pyran-2-carboxamide
CID 91778812

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide;molecular hydrogen?
The IUPAC name of (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide;molecular hydrogen (CID 156798942) is (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide;molecular hydrogen.
What is the SMILES notation for (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide;molecular hydrogen?
The canonical SMILES for (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide;molecular hydrogen is CC(C)/C=C/C(=O)NC1CCN(C(=O)COC(C)C)CC1.[H][H].
What is the InChIKey of (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide;molecular hydrogen?
The InChIKey is LAWBJNRCCFOPHV-IPZCTEOASA-N. The full InChI is InChI=1S/C16H28N2O3.H2/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);1H/b6-5+;.
What are the key properties of (E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide;molecular hydrogen?
(E)-4-methyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide;molecular hydrogen has a molecular weight of 298.43 g/mol, XLogP of 1.98, 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;molecular hydrogen is sourced from PubChem (CID 156798942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).