N-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide

C17H25ClN2O3 — CID 135106562

IUPACN-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide
SMILESCOCCOC1CCN(CC(=O)Nc2ccc(Cl)c(C)c2)CC1
InChIInChI=1S/C17H25ClN2O3/c1-13-11-14(3-4-16(13)18)19-17(21)12-20-7-5-15(6-8-20)23-10-9-22-2/h3-4,11,15H,5-10,12H2,1-2H3,(H,19,21)
InChIKeyOKEALRDCMUPHOQ-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.71
Rot. Bonds7

About N-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide

N-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide (PubChem CID 135106562) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide
PubChem CID135106562
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC NameN-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide
SMILESCOCCOC1CCN(CC(=O)Nc2ccc(Cl)c(C)c2)CC1
InChIInChI=1S/C17H25ClN2O3/c1-13-11-14(3-4-16(13)18)19-17(21)12-20-7-5-15(6-8-20)23-10-9-22-2/h3-4,11,15H,5-10,12H2,1-2H3,(H,19,21)
InChIKeyOKEALRDCMUPHOQ-UHFFFAOYSA-N
XLogP2.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909918
N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923478
methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731413
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
methyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742206
N-(3-chloro-4-methylphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909629
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974
N-(3-chloro-4-methoxyphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923559
N-(3-chloro-4-methylphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909395
2-(4-ethoxypiperidin-1-yl)-N-phenylacetamide
CID 47358518
methyl 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742544

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide (CID 135106562) is N-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide is COCCOC1CCN(CC(=O)Nc2ccc(Cl)c(C)c2)CC1.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide?
The InChIKey is OKEALRDCMUPHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-13-11-14(3-4-16(13)18)19-17(21)12-20-7-5-15(6-8-20)23-10-9-22-2/h3-4,11,15H,5-10,12H2,1-2H3,(H,19,21).
What are the key properties of N-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide?
N-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide has a molecular weight of 340.85 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide is sourced from PubChem (CID 135106562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).