2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide

C18H32N2O2 — CID 78522758

IUPAC2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC1CCN(C(=O)CCCCC)CC1CC
InChIInChI=1S/C18H32N2O2/c1-4-7-8-9-18(22)20-12-10-16(15(6-3)14-20)13-17(21)19-11-5-2/h5,15-16H,2,4,6-14H2,1,3H3,(H,19,21)
InChIKeyJSSSIAGRTKQUAA-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.13
Rot. Bonds9

About 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide

2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide (PubChem CID 78522758) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide
PubChem CID78522758
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC1CCN(C(=O)CCCCC)CC1CC
InChIInChI=1S/C18H32N2O2/c1-4-7-8-9-18(22)20-12-10-16(15(6-3)14-20)13-17(21)19-11-5-2/h5,15-16H,2,4,6-14H2,1,3H3,(H,19,21)
InChIKeyJSSSIAGRTKQUAA-UHFFFAOYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 78524240
methyl 1-[2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetyl]piperidine-4-carboxylate
CID 28959379
2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 74693756
2-[(3S,4S)-1-(2-chloropyridine-4-carbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide
CID 162812191
N-prop-2-enyloctanamide
CID 4071942
2-(1-acetyl-3-ethylpiperidin-4-yl)-N-propylacetamide
CID 73139163
1-(3-ethyl-4-hydroxypiperidin-1-yl)pentan-1-one
CID 114509873
1-(4-amino-3-methylpiperidin-1-yl)octan-1-one
CID 79880598
1-(3-chloropyrrolidin-1-yl)hexan-1-one
CID 63394452
1-(3-hydroxy-4-methylpiperidin-1-yl)decan-1-one
CID 103900332
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]octan-1-one
CID 114960528
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide (CID 78522758) is 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide is C=CCNC(=O)CC1CCN(C(=O)CCCCC)CC1CC.
What is the InChIKey of 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide?
The InChIKey is JSSSIAGRTKQUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-4-7-8-9-18(22)20-12-10-16(15(6-3)14-20)13-17(21)19-11-5-2/h5,15-16H,2,4,6-14H2,1,3H3,(H,19,21).
What are the key properties of 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide?
2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide has a molecular weight of 308.47 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 78522758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).