2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide

C14H19ClN2O — CID 45371722

IUPAC2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide
SMILESCc1ccc(N2CCCCC2)c(NC(=O)CCl)c1
InChIInChI=1S/C14H19ClN2O/c1-11-5-6-13(17-7-3-2-4-8-17)12(9-11)16-14(18)10-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)
InChIKeyIVMPGAUTHINYCR-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.16
Rot. Bonds3

About 2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide

2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide (PubChem CID 45371722) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide
PubChem CID45371722
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide
SMILESCc1ccc(N2CCCCC2)c(NC(=O)CCl)c1
InChIInChI=1S/C14H19ClN2O/c1-11-5-6-13(17-7-3-2-4-8-17)12(9-11)16-14(18)10-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)
InChIKeyIVMPGAUTHINYCR-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2452642
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
CID 47108337
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 4092642
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide
CID 119829370
3-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 46700238
1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea
CID 47103290
3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 75413856

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide (CID 45371722) is 2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide is Cc1ccc(N2CCCCC2)c(NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide?
The InChIKey is IVMPGAUTHINYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-11-5-6-13(17-7-3-2-4-8-17)12(9-11)16-14(18)10-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide?
2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide has a molecular weight of 266.77 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 45371722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).