N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide

C11H21N3O3 — CID 112701787

IUPACN-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)COCCN)CC1
InChIInChI=1S/C11H21N3O3/c1-9(15)13-10-2-5-14(6-3-10)11(16)8-17-7-4-12/h10H,2-8,12H2,1H3,(H,13,15)
InChIKeyXNMVVWYTVFLNDM-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.91
Rot. Bonds5

About N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide

N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide (PubChem CID 112701787) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide
PubChem CID112701787
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)COCCN)CC1
InChIInChI=1S/C11H21N3O3/c1-9(15)13-10-2-5-14(6-3-10)11(16)8-17-7-4-12/h10H,2-8,12H2,1H3,(H,13,15)
InChIKeyXNMVVWYTVFLNDM-UHFFFAOYSA-N
XLogP-0.91
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 79473160
1-[2-(2-aminoethoxy)acetyl]-N,N-dimethylpiperidine-4-carboxamide
CID 79474031
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555122
2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone
CID 79473510
N-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]acetamide
CID 113402232
ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
CID 79473770
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
N-[1-(3-aminobutanoyl)piperidin-4-yl]acetamide
CID 115738812
1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone
CID 107937213
2-amino-3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 81083241
1-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 79473074
methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567119

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide (CID 112701787) is N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)COCCN)CC1.
What is the InChIKey of N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide?
The InChIKey is XNMVVWYTVFLNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-9(15)13-10-2-5-14(6-3-10)11(16)8-17-7-4-12/h10H,2-8,12H2,1H3,(H,13,15).
What are the key properties of N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide?
N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide has a molecular weight of 243.31 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 112701787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).