2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone

C14H19ClN2O2 — CID 154803745

IUPAC2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
SMILESCOc1ccccc1NC1CCN(C(=O)CCl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-19-13-5-3-2-4-12(13)16-11-6-8-17(9-7-11)14(18)10-15/h2-5,11,16H,6-10H2,1H3
InChIKeyNVEPDLYSWXLJQB-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.34
Rot. Bonds4

About 2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone

2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone (PubChem CID 154803745) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
PubChem CID154803745
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
SMILESCOc1ccccc1NC1CCN(C(=O)CCl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-19-13-5-3-2-4-12(13)16-11-6-8-17(9-7-11)14(18)10-15/h2-5,11,16H,6-10H2,1H3
InChIKeyNVEPDLYSWXLJQB-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
CID 3612489
methyl 2-[4-(2-methoxyanilino)piperidin-1-yl]acetate
CID 71857529
1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone
CID 119373605
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine
CID 4270050
N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 5131485
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone
CID 119644996
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone
CID 47093220
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
CID 3362451
2-[4-(2-methoxyanilino)piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 10735928
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone (CID 154803745) is 2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone is COc1ccccc1NC1CCN(C(=O)CCl)CC1.
What is the InChIKey of 2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone?
The InChIKey is NVEPDLYSWXLJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-19-13-5-3-2-4-12(13)16-11-6-8-17(9-7-11)14(18)10-15/h2-5,11,16H,6-10H2,1H3.
What are the key properties of 2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone?
2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone has a molecular weight of 282.77 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 154803745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).