methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate

C16H21NO4 — CID 43409066

IUPACmethyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCc2ccccc2O)CC1
InChIInChI=1S/C16H21NO4/c1-21-16(20)13-8-10-17(11-9-13)15(19)7-6-12-4-2-3-5-14(12)18/h2-5,13,18H,6-11H2,1H3
InChIKeyCUVCSQGFFCXODF-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.74
Rot. Bonds4

About methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate

methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate (PubChem CID 43409066) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate
PubChem CID43409066
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCc2ccccc2O)CC1
InChIInChI=1S/C16H21NO4/c1-21-16(20)13-8-10-17(11-9-13)15(19)7-6-12-4-2-3-5-14(12)18/h2-5,13,18H,6-11H2,1H3
InChIKeyCUVCSQGFFCXODF-UHFFFAOYSA-N
XLogP1.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 43404780
methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate
CID 112733766
N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
CID 31588009
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908
methyl 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxylate
CID 19061809
3-(2-hydroxyphenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66291219
methyl 1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxylate
CID 100539386
methyl 1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidine-4-carboxylate
CID 2516173
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate
CID 84551886
3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
CID 143559381

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate (CID 43409066) is methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CCc2ccccc2O)CC1.
What is the InChIKey of methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate?
The InChIKey is CUVCSQGFFCXODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-21-16(20)13-8-10-17(11-9-13)15(19)7-6-12-4-2-3-5-14(12)18/h2-5,13,18H,6-11H2,1H3.
What are the key properties of methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate?
methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 43409066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).