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

C15H23N3O2 — CID 115413260

IUPAC(2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(OC)cc2N)CC1C
InChIInChI=1S/C15H23N3O2/c1-4-17-7-8-18(10-11(17)2)15(19)13-6-5-12(20-3)9-14(13)16/h5-6,9,11H,4,7-8,10,16H2,1-3H3
InChIKeyDULRZUKJNVOFHI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.44
Rot. Bonds3

About (2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

(2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (PubChem CID 115413260) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
PubChem CID115413260
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(OC)cc2N)CC1C
InChIInChI=1S/C15H23N3O2/c1-4-17-7-8-18(10-11(17)2)15(19)13-6-5-12(20-3)9-14(13)16/h5-6,9,11H,4,7-8,10,16H2,1-3H3
InChIKeyDULRZUKJNVOFHI-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

(2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63621547
(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678357
(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 115413350
1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 82546755
(3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 105070126
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 115413615
2-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline
CID 63604557
(2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 115413028
4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide
CID 115412870
(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 115413263
(2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 115413472
(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113345359

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (CID 115413260) is (2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(OC)cc2N)CC1C.
What is the InChIKey of (2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The InChIKey is DULRZUKJNVOFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-17-7-8-18(10-11(17)2)15(19)13-6-5-12(20-3)9-14(13)16/h5-6,9,11H,4,7-8,10,16H2,1-3H3.
What are the key properties of (2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
(2-amino-4-methoxyphenyl)-(4-ethyl-3-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 (2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 115413260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).