(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

C15H22N2O3 — CID 106585621

IUPAC(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2ccc(OC)c(N)c2)C1
InChIInChI=1S/C15H22N2O3/c1-19-10-11-4-3-7-17(9-11)15(18)12-5-6-14(20-2)13(16)8-12/h5-6,8,11H,3-4,7,9-10,16H2,1-2H3
InChIKeyGRBSDZBWLWGRQD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.78
Rot. Bonds4

About (3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 106585621) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID106585621
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2ccc(OC)c(N)c2)C1
InChIInChI=1S/C15H22N2O3/c1-19-10-11-4-3-7-17(9-11)15(18)12-5-6-14(20-2)13(16)8-12/h5-6,8,11H,3-4,7,9-10,16H2,1-2H3
InChIKeyGRBSDZBWLWGRQD-UHFFFAOYSA-N
XLogP1.78
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
[3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 118760930
1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194101
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339183
(4-amino-5-chloro-2-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 119781775
(4-hydrazinylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588870
(4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113259178
(3-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103841992
(3-bromo-4-methoxyphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110610262
(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16786462
(4-amino-3-iodophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 112750869

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 106585621) is (3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)c2ccc(OC)c(N)c2)C1.
What is the InChIKey of (3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is GRBSDZBWLWGRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-10-11-4-3-7-17(9-11)15(18)12-5-6-14(20-2)13(16)8-12/h5-6,8,11H,3-4,7,9-10,16H2,1-2H3.
What are the key properties of (3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 278.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106585621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).