2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide

C12H25N3O3 — CID 114243071

IUPAC2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
SMILESCN(CCOCCO)C(=O)CN1CCC(N)CC1
InChIInChI=1S/C12H25N3O3/c1-14(6-8-18-9-7-16)12(17)10-15-4-2-11(13)3-5-15/h11,16H,2-10,13H2,1H3
InChIKeyXIIITIBWDJIZBW-UHFFFAOYSA-N
MW259.35 g/mol
LogP-1.12
Rot. Bonds7

About 2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide

2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide (PubChem CID 114243071) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
PubChem CID114243071
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
SMILESCN(CCOCCO)C(=O)CN1CCC(N)CC1
InChIInChI=1S/C12H25N3O3/c1-14(6-8-18-9-7-16)12(17)10-15-4-2-11(13)3-5-15/h11,16H,2-10,13H2,1H3
InChIKeyXIIITIBWDJIZBW-UHFFFAOYSA-N
XLogP-1.12
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79328008
2-(4-aminopiperidin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 79327859
N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 114243370
2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 79328384
2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide
CID 127011721
2-(4-aminopiperidin-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
CID 79327713
2-(4-aminopiperidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 43556875
N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 121200050
2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide
CID 110027884
4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide
CID 114243092
2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 79327977
N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-3-pyrrolidin-3-ylpropanamide
CID 114243074

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide (CID 114243071) is 2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide is CN(CCOCCO)C(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
The InChIKey is XIIITIBWDJIZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-14(6-8-18-9-7-16)12(17)10-15-4-2-11(13)3-5-15/h11,16H,2-10,13H2,1H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide has a molecular weight of 259.35 g/mol, XLogP of -1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 114243071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).