methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate

C15H19NO4 — CID 134069306

IUPACmethyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C15H19NO4/c1-20-14(18)11-13(17)16-9-7-15(19,8-10-16)12-5-3-2-4-6-12/h2-6,19H,7-11H2,1H3
InChIKeyMFRUCTMNOGXHID-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.06
Rot. Bonds3

About methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate

methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate (PubChem CID 134069306) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate
PubChem CID134069306
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C15H19NO4/c1-20-14(18)11-13(17)16-9-7-15(19,8-10-16)12-5-3-2-4-6-12/h2-6,19H,7-11H2,1H3
InChIKeyMFRUCTMNOGXHID-UHFFFAOYSA-N
XLogP1.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate
CID 122138914
tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate
CID 67415587
ethyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 154734195
3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
CID 110185891
2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
CID 164851654
methyl 3-oxo-3-(4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)propanoate
CID 134069534
4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide
CID 122559873
1-(4-hydroxy-4-phenylpiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 74231837
2-[[4-[3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropyl]phenyl]methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 22325285
(3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid
CID 126451892
methyl 3-[1-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 44762562
benzyl 4-hydroxy-4-phenylazepane-1-carboxylate
CID 138755008

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate?
The IUPAC name of methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate (CID 134069306) is methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate.
What is the SMILES notation for methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate?
The canonical SMILES for methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate is COC(=O)CC(=O)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate?
The InChIKey is MFRUCTMNOGXHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-14(18)11-13(17)16-9-7-15(19,8-10-16)12-5-3-2-4-6-12/h2-6,19H,7-11H2,1H3.
What are the key properties of methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate?
methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate has a molecular weight of 277.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate is sourced from PubChem (CID 134069306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).