(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

C15H23N3O2 — CID 104782923

IUPAC(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(N)c(OC)c2)CCN1C
InChIInChI=1S/C15H23N3O2/c1-4-12-10-18(8-7-17(12)2)15(19)11-5-6-13(16)14(9-11)20-3/h5-6,9,12H,4,7-8,10,16H2,1-3H3
InChIKeyUSVRUUQNWQIIPX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.44
Rot. Bonds3

About (4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (PubChem CID 104782923) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
PubChem CID104782923
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(N)c(OC)c2)CCN1C
InChIInChI=1S/C15H23N3O2/c1-4-12-10-18(8-7-17(12)2)15(19)11-5-6-13(16)14(9-11)20-3/h5-6,9,12H,4,7-8,10,16H2,1-3H3
InChIKeyUSVRUUQNWQIIPX-UHFFFAOYSA-N
XLogP1.44
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.44
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

(4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603575
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
(3-chloro-4-hydroxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 55218173
(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 90104243
(4-amino-3-methoxyphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796729
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
CID 104782948
4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one
CID 104782996
(4-amino-3-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210005
(4-amino-3-methoxyphenyl)-[2-(2-methylpropyl)morpholin-4-yl]methanone
CID 90103196
(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 90103540
(3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63604493
(4-amino-3-methoxyphenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 104782972

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (CID 104782923) is (4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2ccc(N)c(OC)c2)CCN1C.
What is the InChIKey of (4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The InChIKey is USVRUUQNWQIIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-12-10-18(8-7-17(12)2)15(19)11-5-6-13(16)14(9-11)20-3/h5-6,9,12H,4,7-8,10,16H2,1-3H3.
What are the key properties of (4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 104782923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).