N-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide

C17H28N2O2 — CID 146260614

IUPACN-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide
SMILESC=C(C)C(=O)N(CC)CC/C=C(\C)C(=O)N1CCCCC1
InChIInChI=1S/C17H28N2O2/c1-5-18(16(20)14(2)3)13-9-10-15(4)17(21)19-11-7-6-8-12-19/h10H,2,5-9,11-13H2,1,3-4H3/b15-10+
InChIKeyUQSYFNSZDSJHCS-XNTDXEJSSA-N
MW292.42 g/mol
LogP2.76
Rot. Bonds6

About N-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide

N-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide (PubChem CID 146260614) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide
PubChem CID146260614
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide
SMILESC=C(C)C(=O)N(CC)CC/C=C(\C)C(=O)N1CCCCC1
InChIInChI=1S/C17H28N2O2/c1-5-18(16(20)14(2)3)13-9-10-15(4)17(21)19-11-7-6-8-12-19/h10H,2,5-9,11-13H2,1,3-4H3/b15-10+
InChIKeyUQSYFNSZDSJHCS-XNTDXEJSSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-2-oxo-2-piperidin-1-ylacetamide
CID 108517236
1-(azepan-1-yl)-2-methylprop-2-en-1-one
CID 22146478
1-(4-acetylpiperazin-1-yl)-2-methylpent-2-en-1-one
CID 71897559
3-iodo-2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 173171873
3-methyl-1-pyrrolidin-1-ylbut-3-ene-1,2-dione
CID 71318871
1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide
CID 70414233
N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide
CID 102976075
propane;1-pyrrolidin-1-ylethanone
CID 143432619
1-piperidin-1-ylethanone;propanal
CID 178173122
2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide
CID 143023563
2-(bromomethyl)-1-piperidin-1-ylprop-2-en-1-one
CID 19611279
2-oxo-N,N-bis(prop-2-enyl)-2-pyrrolidin-1-ylacetamide
CID 108516735

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide?
The IUPAC name of N-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide (CID 146260614) is N-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide?
The canonical SMILES for N-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide is C=C(C)C(=O)N(CC)CC/C=C(\C)C(=O)N1CCCCC1.
What is the InChIKey of N-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide?
The InChIKey is UQSYFNSZDSJHCS-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-18(16(20)14(2)3)13-9-10-15(4)17(21)19-11-7-6-8-12-19/h10H,2,5-9,11-13H2,1,3-4H3/b15-10+.
What are the key properties of N-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide?
N-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide has a molecular weight of 292.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[(E)-4-methyl-5-oxo-5-piperidin-1-ylpent-3-enyl]prop-2-enamide is sourced from PubChem (CID 146260614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).