N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide

C17H23ClN2O3 — CID 108562484

IUPACN-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)C(C)Cl)CC2)cc1
InChIInChI=1S/C17H23ClN2O3/c1-12-3-5-15(6-4-12)23-11-16(21)19-14-7-9-20(10-8-14)17(22)13(2)18/h3-6,13-14H,7-11H2,1-2H3,(H,19,21)
InChIKeyVJERIPBNWRNNLA-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.11
Rot. Bonds5

About N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide

N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 108562484) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
PubChem CID108562484
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC NameN-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)C(C)Cl)CC2)cc1
InChIInChI=1S/C17H23ClN2O3/c1-12-3-5-15(6-4-12)23-11-16(21)19-14-7-9-20(10-8-14)17(22)13(2)18/h3-6,13-14H,7-11H2,1-2H3,(H,19,21)
InChIKeyVJERIPBNWRNNLA-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.11
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

N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560030
2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32542579
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 75369326
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
2-(4-acetylphenoxy)-N-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 71933874
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556946
2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide
CID 97214154
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 32964517
N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556941
2-(4-chlorophenoxy)-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetamide
CID 108554355
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556948

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide (CID 108562484) is N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)C(C)Cl)CC2)cc1.
What is the InChIKey of N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is VJERIPBNWRNNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-12-3-5-15(6-4-12)23-11-16(21)19-14-7-9-20(10-8-14)17(22)13(2)18/h3-6,13-14H,7-11H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide?
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 338.84 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 108562484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).