N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide

C12H21ClN2O4 — CID 108562763

IUPACN-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCN(C(=O)CCl)CC1
InChIInChI=1S/C12H21ClN2O4/c1-18-6-7-19-9-11(16)14-10-2-4-15(5-3-10)12(17)8-13/h10H,2-9H2,1H3,(H,14,16)
InChIKeyJNPJXIWTAMDKGT-UHFFFAOYSA-N
MW292.76 g/mol
LogP-0.00
Rot. Bonds7

About N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide

N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide (PubChem CID 108562763) has the molecular formula C12H21ClN2O4 and a molecular weight of 292.76 g/mol. Its IUPAC name is N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
PubChem CID108562763
Molecular FormulaC12H21ClN2O4
Molecular Weight292.76 g/mol
Exact Mass292.12
IUPAC NameN-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCN(C(=O)CCl)CC1
InChIInChI=1S/C12H21ClN2O4/c1-18-6-7-19-9-11(16)14-10-2-4-15(5-3-10)12(17)8-13/h10H,2-9H2,1H3,(H,14,16)
InChIKeyJNPJXIWTAMDKGT-UHFFFAOYSA-N
XLogP-0.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 47488724
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557795
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557702
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555122
N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide
CID 63680285
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557704
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108562169
N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide
CID 103719047
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549152
benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 108562757
N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557706

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide (CID 108562763) is N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC1CCN(C(=O)CCl)CC1.
What is the InChIKey of N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is JNPJXIWTAMDKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O4/c1-18-6-7-19-9-11(16)14-10-2-4-15(5-3-10)12(17)8-13/h10H,2-9H2,1H3,(H,14,16).
What are the key properties of N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 292.76 g/mol, XLogP of -0.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 108562763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).