methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate

C17H24N2O4 — CID 84551777

IUPACmethyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCCOc2ccccc2N)CC1
InChIInChI=1S/C17H24N2O4/c1-22-17(21)13-8-10-19(11-9-13)16(20)7-4-12-23-15-6-3-2-5-14(15)18/h2-3,5-6,13H,4,7-12,18H2,1H3
InChIKeyPBFWJWMHXSVBGK-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.84
Rot. Bonds6

About methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate

methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate (PubChem CID 84551777) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate
PubChem CID84551777
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCCOc2ccccc2N)CC1
InChIInChI=1S/C17H24N2O4/c1-22-17(21)13-8-10-19(11-9-13)16(20)7-4-12-23-15-6-3-2-5-14(15)18/h2-3,5-6,13H,4,7-12,18H2,1H3
InChIKeyPBFWJWMHXSVBGK-UHFFFAOYSA-N
XLogP1.84
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[4-(2-nitrophenoxy)butanoyl]piperidine-4-carboxylate
CID 84556000
3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 62199061
1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide
CID 43575397
tert-butyl 4-[4-(2-aminophenoxy)butanoyl]piperazine-1-carboxylate
CID 84551841
methyl 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxylate
CID 19061809
3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one
CID 102955034
2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone
CID 61115282
methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate
CID 43409066
3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94895206
3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 102954849
4-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119562734
methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate
CID 79199255

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate (CID 84551777) is methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CCCOc2ccccc2N)CC1.
What is the InChIKey of methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate?
The InChIKey is PBFWJWMHXSVBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-17(21)13-8-10-19(11-9-13)16(20)7-4-12-23-15-6-3-2-5-14(15)18/h2-3,5-6,13H,4,7-12,18H2,1H3.
What are the key properties of methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate?
methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 84551777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).