(2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone

C16H25N3O2 — CID 115413028

IUPAC(2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(C)(C)C)CC2)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)19-9-7-18(8-10-19)15(20)13-6-5-12(21-4)11-14(13)17/h5-6,11H,7-10,17H2,1-4H3
InChIKeyZSTUCJAFRGSKCR-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.83
Rot. Bonds2

About (2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone

(2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone (PubChem CID 115413028) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone
PubChem CID115413028
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(C)(C)C)CC2)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)19-9-7-18(8-10-19)15(20)13-6-5-12(21-4)11-14(13)17/h5-6,11H,7-10,17H2,1-4H3
InChIKeyZSTUCJAFRGSKCR-UHFFFAOYSA-N
XLogP1.83
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.83
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-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide
CID 115412870
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115413606
(2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 115413231
(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 115413263
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404373
(2-amino-4-methoxyphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409259
(2-amino-4-methoxyphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355975
(2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 115413260
(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678357
(2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 115413472
(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 115413350

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone (CID 115413028) is (2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2CCN(C(C)(C)C)CC2)c(N)c1.
What is the InChIKey of (2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone?
The InChIKey is ZSTUCJAFRGSKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)19-9-7-18(8-10-19)15(20)13-6-5-12(21-4)11-14(13)17/h5-6,11H,7-10,17H2,1-4H3.
What are the key properties of (2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone?
(2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone has a molecular weight of 291.40 g/mol, XLogP of 1.83, 2 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-tert-butylpiperazin-1-yl)methanone is sourced from PubChem (CID 115413028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).