(2,4-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone

C21H26N2O4 — CID 24819242

IUPAC(2,4-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3ccc(OC)cc3OC)C2)cc1
InChIInChI=1S/C21H26N2O4/c1-25-17-8-6-15(7-9-17)22-16-5-4-12-23(14-16)21(24)19-11-10-18(26-2)13-20(19)27-3/h6-11,13,16,22H,4-5,12,14H2,1-3H3
InChIKeyLEAPUWKTRCALEZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.43
Rot. Bonds6

About (2,4-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone

(2,4-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone (PubChem CID 24819242) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone
PubChem CID24819242
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(2,4-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3ccc(OC)cc3OC)C2)cc1
InChIInChI=1S/C21H26N2O4/c1-25-17-8-6-15(7-9-17)22-16-5-4-12-23(14-16)21(24)19-11-10-18(26-2)13-20(19)27-3/h6-11,13,16,22H,4-5,12,14H2,1-3H3
InChIKeyLEAPUWKTRCALEZ-UHFFFAOYSA-N
XLogP3.43
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone (CID 24819242) is (2,4-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone is COc1ccc(NC2CCCN(C(=O)c3ccc(OC)cc3OC)C2)cc1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone?
The InChIKey is LEAPUWKTRCALEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-17-8-6-15(7-9-17)22-16-5-4-12-23(14-16)21(24)19-11-10-18(26-2)13-20(19)27-3/h6-11,13,16,22H,4-5,12,14H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 24819242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).