2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one

C17H26N2O2 — CID 87033324

IUPAC2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(NC(C)C(=O)N2CCC(C)CC2)cc1C
InChIInChI=1S/C17H26N2O2/c1-12-7-9-19(10-8-12)17(20)14(3)18-15-5-6-16(21-4)13(2)11-15/h5-6,11-12,14,18H,7-10H2,1-4H3
InChIKeyFSXFMAZUOFAVHO-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.06
Rot. Bonds4

About 2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one

2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 87033324) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID87033324
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(NC(C)C(=O)N2CCC(C)CC2)cc1C
InChIInChI=1S/C17H26N2O2/c1-12-7-9-19(10-8-12)17(20)14(3)18-15-5-6-16(21-4)13(2)11-15/h5-6,11-12,14,18H,7-10H2,1-4H3
InChIKeyFSXFMAZUOFAVHO-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 87033324) is 2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one is COc1ccc(NC(C)C(=O)N2CCC(C)CC2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is FSXFMAZUOFAVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-7-9-19(10-8-12)17(20)14(3)18-15-5-6-16(21-4)13(2)11-15/h5-6,11-12,14,18H,7-10H2,1-4H3.
What are the key properties of 2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one?
2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 87033324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).