1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone

C16H24N2O3 — CID 60936422

IUPAC1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
SMILESCOCCOc1cccc(NC2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-13(19)18-8-6-14(7-9-18)17-15-4-3-5-16(12-15)21-11-10-20-2/h3-5,12,14,17H,6-11H2,1-2H3
InChIKeyCHDVRENKFKQMEQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.13
Rot. Bonds6

About 1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone

1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone (PubChem CID 60936422) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
PubChem CID60936422
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
SMILESCOCCOc1cccc(NC2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-13(19)18-8-6-14(7-9-18)17-15-4-3-5-16(12-15)21-11-10-20-2/h3-5,12,14,17H,6-11H2,1-2H3
InChIKeyCHDVRENKFKQMEQ-UHFFFAOYSA-N
XLogP2.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.13
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-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
CID 54864785
N-[3-(2-methoxyethoxy)phenyl]pyrrolidin-3-amine
CID 79731567
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116
1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone
CID 43782188
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 95592117
(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168046
tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
CID 22557965
2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892742
tert-butyl 4-(3-methoxyanilino)azepane-1-carboxylate
CID 103980589

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone (CID 60936422) is 1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone is COCCOc1cccc(NC2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone?
The InChIKey is CHDVRENKFKQMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(19)18-8-6-14(7-9-18)17-15-4-3-5-16(12-15)21-11-10-20-2/h3-5,12,14,17H,6-11H2,1-2H3.
What are the key properties of 1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone?
1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone has a molecular weight of 292.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone is sourced from PubChem (CID 60936422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).