N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide

C14H19ClN2O2 — CID 47296916

IUPACN-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-19-10-14(18)16-11-5-6-13(12(15)9-11)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)
InChIKeyMRLIMIKMDONMJI-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.92
Rot. Bonds4

About N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide

N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide (PubChem CID 47296916) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide
PubChem CID47296916
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-19-10-14(18)16-11-5-6-13(12(15)9-11)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)
InChIKeyMRLIMIKMDONMJI-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide
CID 1048171
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 4043146
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
CID 47108337
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 21212389
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-pyrrolidin-1-ylphenyl)acetamide
CID 19629925
N-(3-ethoxypropyl)-5-[(2-methoxyacetyl)amino]-2-piperidin-1-ylbenzamide
CID 3313832
(2S)-2-chloro-N-(3-chloro-4-pyrrolidin-1-ylphenyl)propanamide
CID 51670700
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 2995302
5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 1007459
2-(2-chlorophenoxy)-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 1324558
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 2996154
1-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754895

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide?
The IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide (CID 47296916) is N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide?
The canonical SMILES for N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide is COCC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide?
The InChIKey is MRLIMIKMDONMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-19-10-14(18)16-11-5-6-13(12(15)9-11)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18).
What are the key properties of N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide?
N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide has a molecular weight of 282.77 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide is sourced from PubChem (CID 47296916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).