methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate

C16H23NO3 — CID 102959585

IUPACmethyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCCC(OC)C1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-19-14-9-6-10-17(11-14)12-15(16(18)20-2)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3
InChIKeyCGZUBXNVIBKRTI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.05
Rot. Bonds5

About methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate

methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate (PubChem CID 102959585) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
PubChem CID102959585
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCCC(OC)C1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-19-14-9-6-10-17(11-14)12-15(16(18)20-2)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3
InChIKeyCGZUBXNVIBKRTI-UHFFFAOYSA-N
XLogP2.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64564821
methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64559049
2-(3-methoxypiperidin-1-yl)-N-methyl-1-phenylethanamine
CID 102965612
methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64567065
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate
CID 115965519
2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid
CID 63075263
methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate
CID 83235288
methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate
CID 64566277
methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196
3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid
CID 64558858
methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate
CID 64567719

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate?
The IUPAC name of methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate (CID 102959585) is methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate.
What is the SMILES notation for methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate?
The canonical SMILES for methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate is COC(=O)C(CN1CCCC(OC)C1)c1ccccc1.
What is the InChIKey of methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate?
The InChIKey is CGZUBXNVIBKRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-14-9-6-10-17(11-14)12-15(16(18)20-2)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3.
What are the key properties of methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate?
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate has a molecular weight of 277.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate is sourced from PubChem (CID 102959585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).