(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone

C14H20N2O3 — CID 102955038

IUPAC(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(OC)C2)cc1N
InChIInChI=1S/C14H20N2O3/c1-18-11-4-3-7-16(9-11)14(17)10-5-6-13(19-2)12(15)8-10/h5-6,8,11H,3-4,7,9,15H2,1-2H3
InChIKeyGFAONHWINJVWRU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.53
Rot. Bonds3

About (3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone

(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone (PubChem CID 102955038) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
PubChem CID102955038
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(OC)C2)cc1N
InChIInChI=1S/C14H20N2O3/c1-18-11-4-3-7-16(9-11)14(17)10-5-6-13(19-2)12(15)8-10/h5-6,8,11H,3-4,7,9,15H2,1-2H3
InChIKeyGFAONHWINJVWRU-UHFFFAOYSA-N
XLogP1.53
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.53
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-(methoxymethyl)piperidin-1-yl]methanone
CID 106585621
1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194101
(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16786462
(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
CID 16775016
(3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66393989
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
CID 115533204
2-(3-amino-4-methoxybenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855959
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198
methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate
CID 75369442
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 103644623

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of (3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone (CID 102955038) is (3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone is COc1ccc(C(=O)N2CCCC(OC)C2)cc1N.
What is the InChIKey of (3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is GFAONHWINJVWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-11-4-3-7-16(9-11)14(17)10-5-6-13(19-2)12(15)8-10/h5-6,8,11H,3-4,7,9,15H2,1-2H3.
What are the key properties of (3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone?
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.53, 3 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-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 102955038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).