N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide

C14H26N2O2 — CID 113348089

IUPACN-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1CCC(C)C(O)C1
InChIInChI=1S/C14H26N2O2/c1-5-16(8-11(2)3)14(18)10-15-7-6-12(4)13(17)9-15/h12-13,17H,2,5-10H2,1,3-4H3
InChIKeyRXHCAUDUCKJSNC-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.11
Rot. Bonds5

About N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide

N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide (PubChem CID 113348089) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide
PubChem CID113348089
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1CCC(C)C(O)C1
InChIInChI=1S/C14H26N2O2/c1-5-16(8-11(2)3)14(18)10-15-7-6-12(4)13(17)9-15/h12-13,17H,2,5-10H2,1,3-4H3
InChIKeyRXHCAUDUCKJSNC-UHFFFAOYSA-N
XLogP1.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 103576641
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518
2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid
CID 102959425
N,N-diethyl-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896864
4-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbut-2-enoic acid
CID 102959453
1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid
CID 106745003
1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 103898098
1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63137029
ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate
CID 103484627
2-cyclopentyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 86978195
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide
CID 115302487
1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984464

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide (CID 113348089) is N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CN1CCC(C)C(O)C1.
What is the InChIKey of N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is RXHCAUDUCKJSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-16(8-11(2)3)14(18)10-15-7-6-12(4)13(17)9-15/h12-13,17H,2,5-10H2,1,3-4H3.
What are the key properties of N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide?
N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 113348089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).