N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide

C12H24N2O3 — CID 105346505

IUPACN-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide
SMILESCOC(CN1CCC(CNC(C)=O)CC1)OC
InChIInChI=1S/C12H24N2O3/c1-10(15)13-8-11-4-6-14(7-5-11)9-12(16-2)17-3/h11-12H,4-9H2,1-3H3,(H,13,15)
InChIKeyZWOZPAPBHPVQSW-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.45
Rot. Bonds6

About N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide

N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 105346505) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide
PubChem CID105346505
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide
SMILESCOC(CN1CCC(CNC(C)=O)CC1)OC
InChIInChI=1S/C12H24N2O3/c1-10(15)13-8-11-4-6-14(7-5-11)9-12(16-2)17-3/h11-12H,4-9H2,1-3H3,(H,13,15)
InChIKeyZWOZPAPBHPVQSW-UHFFFAOYSA-N
XLogP0.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid
CID 102736543
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide
CID 51116338
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide
CID 107507575
1-(2,2-dimethoxyethyl)piperidin-4-amine
CID 66221486
N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide
CID 102736688
N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381
N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
CID 102736096
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide
CID 103931700

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide (CID 105346505) is N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide is COC(CN1CCC(CNC(C)=O)CC1)OC.
What is the InChIKey of N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is ZWOZPAPBHPVQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(15)13-8-11-4-6-14(7-5-11)9-12(16-2)17-3/h11-12H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 244.33 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 105346505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).