methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride

C14H19ClN2O4 — CID 154907673

IUPACmethyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride
SMILESCOC(=O)c1cc(O)cc(C(=O)N2CCCC(N)C2)c1.Cl
InChIInChI=1S/C14H18N2O4.ClH/c1-20-14(19)10-5-9(6-12(17)7-10)13(18)16-4-2-3-11(15)8-16;/h5-7,11,17H,2-4,8,15H2,1H3;1H
InChIKeyWAKZZHAJQXEULU-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.16
Rot. Bonds2

About methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride

methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride (PubChem CID 154907673) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride
PubChem CID154907673
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Namemethyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride
SMILESCOC(=O)c1cc(O)cc(C(=O)N2CCCC(N)C2)c1.Cl
InChIInChI=1S/C14H18N2O4.ClH/c1-20-14(19)10-5-9(6-12(17)7-10)13(18)16-4-2-3-11(15)8-16;/h5-7,11,17H,2-4,8,15H2,1H3;1H
InChIKeyWAKZZHAJQXEULU-UHFFFAOYSA-N
XLogP1.16
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3-aminopiperidine-1-carbonyl)benzoate
CID 176515174
methyl 3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octane-3-carbonyl]-5-hydroxybenzoate;hydrochloride
CID 154910922
(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119377142
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705169
methyl 3-amino-5-[3-(trifluoromethyl)piperidine-1-carbonyl]benzoate
CID 171662797
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119482519
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
(3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone
CID 107705861
(3-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119378962
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride?
The IUPAC name of methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride (CID 154907673) is methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride.
What is the SMILES notation for methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride?
The canonical SMILES for methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride is COC(=O)c1cc(O)cc(C(=O)N2CCCC(N)C2)c1.Cl.
What is the InChIKey of methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride?
The InChIKey is WAKZZHAJQXEULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4.ClH/c1-20-14(19)10-5-9(6-12(17)7-10)13(18)16-4-2-3-11(15)8-16;/h5-7,11,17H,2-4,8,15H2,1H3;1H.
What are the key properties of methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride?
methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride has a molecular weight of 314.77 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride is sourced from PubChem (CID 154907673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).