2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide

C13H26N2O3 — CID 55249753

IUPAC2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide
SMILESCCOC(CN1CCC(CC(N)=O)CC1)OCC
InChIInChI=1S/C13H26N2O3/c1-3-17-13(18-4-2)10-15-7-5-11(6-8-15)9-12(14)16/h11,13H,3-10H2,1-2H3,(H2,14,16)
InChIKeyDZHGFNZMKCXQFA-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.97
Rot. Bonds8

About 2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide

2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide (PubChem CID 55249753) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide
PubChem CID55249753
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide
SMILESCCOC(CN1CCC(CC(N)=O)CC1)OCC
InChIInChI=1S/C13H26N2O3/c1-3-17-13(18-4-2)10-15-7-5-11(6-8-15)9-12(14)16/h11,13H,3-10H2,1-2H3,(H2,14,16)
InChIKeyDZHGFNZMKCXQFA-UHFFFAOYSA-N
XLogP0.97
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide
CID 63628259
1-(2,2-diethoxyethyl)-4-propylpiperidine
CID 63617165
1-(2,2-diethoxyethyl)piperidine-4-carbonitrile
CID 75507355
1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine
CID 63619023
3-(2,2-diethoxyethyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79175351
1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine
CID 55248399
4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide
CID 63619012
2-[1-(5-hydroxypentyl)piperidin-4-yl]acetamide
CID 62228799
methyl 3-[4-(2,2-diethoxyethyl)piperazin-1-yl]propanoate
CID 115537138
2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110892661
2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide
CID 65005472
2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99828801

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide (CID 55249753) is 2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide is CCOC(CN1CCC(CC(N)=O)CC1)OCC.
What is the InChIKey of 2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide?
The InChIKey is DZHGFNZMKCXQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-17-13(18-4-2)10-15-7-5-11(6-8-15)9-12(14)16/h11,13H,3-10H2,1-2H3,(H2,14,16).
What are the key properties of 2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide?
2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide has a molecular weight of 258.36 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 55249753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).