(1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate

C15H22N2O4 — CID 115950808

IUPAC(1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate
SMILESCOc1cc(OC)c(N)c(C(=O)OC2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O4/c1-17-6-4-10(5-7-17)21-15(18)12-8-11(19-2)9-13(20-3)14(12)16/h8-10H,4-7,16H2,1-3H3
InChIKeyQWOFEXZZWRJCPE-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.54
Rot. Bonds4

About (1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate

(1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate (PubChem CID 115950808) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate
PubChem CID115950808
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate
SMILESCOc1cc(OC)c(N)c(C(=O)OC2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O4/c1-17-6-4-10(5-7-17)21-15(18)12-8-11(19-2)9-13(20-3)14(12)16/h8-10H,4-7,16H2,1-3H3
InChIKeyQWOFEXZZWRJCPE-UHFFFAOYSA-N
XLogP1.54
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3,5-dimethoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 115950482
(1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate
CID 104783906
cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate
CID 115604510
(2-amino-3,5-dimethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 112606053
(1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride
CID 2948697
(1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate
CID 61284955
(2-amino-3,5-dimethoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106667097
(1-methylpiperidin-4-yl) 2-amino-3-chlorobenzoate
CID 113333484
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-amino-3,5-dimethoxyphenyl)methanone
CID 115950779
(1-methylpiperidin-4-yl) 3-amino-2-hydroxybenzoate
CID 113386626
cyclobutyl 2-amino-4,5-dimethoxybenzoate
CID 62217231
cycloheptyl 2-amino-4,5-dimethoxybenzoate
CID 61301747

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate?
The IUPAC name of (1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate (CID 115950808) is (1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate is COc1cc(OC)c(N)c(C(=O)OC2CCN(C)CC2)c1.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate?
The InChIKey is QWOFEXZZWRJCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17-6-4-10(5-7-17)21-15(18)12-8-11(19-2)9-13(20-3)14(12)16/h8-10H,4-7,16H2,1-3H3.
What are the key properties of (1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate?
(1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate has a molecular weight of 294.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate is sourced from PubChem (CID 115950808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).