2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide

C12H21ClN2O3 — CID 108566430

IUPAC2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
SMILESCOCCC(=O)N1CCC(NC(=O)C(C)Cl)CC1
InChIInChI=1S/C12H21ClN2O3/c1-9(13)12(17)14-10-3-6-15(7-4-10)11(16)5-8-18-2/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyVLCQLTZEONAYKX-UHFFFAOYSA-N
MW276.76 g/mol
LogP0.76
Rot. Bonds5

About 2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide

2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide (PubChem CID 108566430) has the molecular formula C12H21ClN2O3 and a molecular weight of 276.76 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
PubChem CID108566430
Molecular FormulaC12H21ClN2O3
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC Name2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
SMILESCOCCC(=O)N1CCC(NC(=O)C(C)Cl)CC1
InChIInChI=1S/C12H21ClN2O3/c1-9(13)12(17)14-10-3-6-15(7-4-10)11(16)5-8-18-2/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyVLCQLTZEONAYKX-UHFFFAOYSA-N
XLogP0.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide
CID 108566205
2-(4-chlorophenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108553182
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108562169
2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108565343
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide
CID 108552764
2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 108564353
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 165440296
4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 136516441
3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one
CID 75436334
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108556221
2-[2-[[1-(3-methoxypropanoyl)piperidin-4-yl]carbamoyl]phenyl]sulfanylpropanoic acid
CID 120551828

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide (CID 108566430) is 2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide is COCCC(=O)N1CCC(NC(=O)C(C)Cl)CC1.
What is the InChIKey of 2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide?
The InChIKey is VLCQLTZEONAYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O3/c1-9(13)12(17)14-10-3-6-15(7-4-10)11(16)5-8-18-2/h9-10H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide?
2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide has a molecular weight of 276.76 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108566430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).