[3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone

C22H25N3O2 — CID 24794278

IUPAC[3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3cn(C)c4ccccc34)C2)cc1
InChIInChI=1S/C22H25N3O2/c1-24-15-20(19-7-3-4-8-21(19)24)22(26)25-13-5-6-17(14-25)23-16-9-11-18(27-2)12-10-16/h3-4,7-12,15,17,23H,5-6,13-14H2,1-2H3
InChIKeyRHTFMTZQQOBUHS-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.90
Rot. Bonds4

About [3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone

[3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone (PubChem CID 24794278) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is [3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone
PubChem CID24794278
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name[3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3cn(C)c4ccccc34)C2)cc1
InChIInChI=1S/C22H25N3O2/c1-24-15-20(19-7-3-4-8-21(19)24)22(26)25-13-5-6-17(14-25)23-16-9-11-18(27-2)12-10-16/h3-4,7-12,15,17,23H,5-6,13-14H2,1-2H3
InChIKeyRHTFMTZQQOBUHS-UHFFFAOYSA-N
XLogP3.90
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone (CID 24794278) is [3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone is COc1ccc(NC2CCCN(C(=O)c3cn(C)c4ccccc34)C2)cc1.
What is the InChIKey of [3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is RHTFMTZQQOBUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24-15-20(19-7-3-4-8-21(19)24)22(26)25-13-5-6-17(14-25)23-16-9-11-18(27-2)12-10-16/h3-4,7-12,15,17,23H,5-6,13-14H2,1-2H3.
What are the key properties of [3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone?
[3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 363.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyanilino)piperidin-1-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 24794278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).