methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate

C14H17NO4 — CID 110465861

IUPACmethyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2cccc(O)c2)C1
InChIInChI=1S/C14H17NO4/c1-19-14(18)11-5-3-7-15(9-11)13(17)10-4-2-6-12(16)8-10/h2,4,6,8,11,16H,3,5,7,9H2,1H3
InChIKeyPDXCYWAUOSKDOR-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.42
Rot. Bonds2

About methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate

methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate (PubChem CID 110465861) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate
PubChem CID110465861
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2cccc(O)c2)C1
InChIInChI=1S/C14H17NO4/c1-19-14(18)11-5-3-7-15(9-11)13(17)10-4-2-6-12(16)8-10/h2,4,6,8,11,16H,3,5,7,9H2,1H3
InChIKeyPDXCYWAUOSKDOR-UHFFFAOYSA-N
XLogP1.42
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-nitrobenzoyl)piperidine-3-carboxylate
CID 78919014
methyl 1-(3,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 56593212
methyl 1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919125
methyl (3S)-1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919478
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate
CID 103865413
methyl (3S)-1-(4-chloro-3-methylbenzoyl)piperidine-3-carboxylate
CID 103760234
methyl 1-(3-amino-4-methylbenzoyl)piperidine-3-carboxylate
CID 110488213
methyl (3S)-1-(3-bromo-4-methylbenzoyl)piperidine-3-carboxylate
CID 79458802
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate (CID 110465861) is methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)c2cccc(O)c2)C1.
What is the InChIKey of methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate?
The InChIKey is PDXCYWAUOSKDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-14(18)11-5-3-7-15(9-11)13(17)10-4-2-6-12(16)8-10/h2,4,6,8,11,16H,3,5,7,9H2,1H3.
What are the key properties of methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate?
methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 110465861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).