N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide

C14H28N2O2 — CID 103931700

IUPACN-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide
SMILESCCC(O)(CC)CN1CCC(CNC(C)=O)CC1
InChIInChI=1S/C14H28N2O2/c1-4-14(18,5-2)11-16-8-6-13(7-9-16)10-15-12(3)17/h13,18H,4-11H2,1-3H3,(H,15,17)
InChIKeyWGMBZXOUJGSKDC-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.39
Rot. Bonds6

About N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide

N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide (PubChem CID 103931700) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide
PubChem CID103931700
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide
SMILESCCC(O)(CC)CN1CCC(CNC(C)=O)CC1
InChIInChI=1S/C14H28N2O2/c1-4-14(18,5-2)11-16-8-6-13(7-9-16)10-15-12(3)17/h13,18H,4-11H2,1-3H3,(H,15,17)
InChIKeyWGMBZXOUJGSKDC-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol
CID 114496949
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid
CID 114494954
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide
CID 51116338
N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381
N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide
CID 102736688
N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide
CID 105346505
N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
CID 102736096
ethyl 4-[4-(acetamidomethyl)piperidin-1-yl]-3-oxobutanoate
CID 102736665

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide (CID 103931700) is N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide is CCC(O)(CC)CN1CCC(CNC(C)=O)CC1.
What is the InChIKey of N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is WGMBZXOUJGSKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-14(18,5-2)11-16-8-6-13(7-9-16)10-15-12(3)17/h13,18H,4-11H2,1-3H3,(H,15,17).
What are the key properties of N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 103931700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).