1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide

C22H25N3O2 — CID 110383921

IUPAC1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc4c(c3)CC(=O)N4C)cc2)CC1
InChIInChI=1S/C22H25N3O2/c1-15-9-11-25(12-10-15)19-6-4-18(5-7-19)23-22(27)16-3-8-20-17(13-16)14-21(26)24(20)2/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,27)
InChIKeyVWKDKKCGUQKCKM-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.69
Rot. Bonds3

About 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide

1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide (PubChem CID 110383921) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide
PubChem CID110383921
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc4c(c3)CC(=O)N4C)cc2)CC1
InChIInChI=1S/C22H25N3O2/c1-15-9-11-25(12-10-15)19-6-4-18(5-7-19)23-22(27)16-3-8-20-17(13-16)14-21(26)24(20)2/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,27)
InChIKeyVWKDKKCGUQKCKM-UHFFFAOYSA-N
XLogP3.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide?
The IUPAC name of 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide (CID 110383921) is 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide is CC1CCN(c2ccc(NC(=O)c3ccc4c(c3)CC(=O)N4C)cc2)CC1.
What is the InChIKey of 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide?
The InChIKey is VWKDKKCGUQKCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-9-11-25(12-10-15)19-6-4-18(5-7-19)23-22(27)16-3-8-20-17(13-16)14-21(26)24(20)2/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,27).
What are the key properties of 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide?
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide is sourced from PubChem (CID 110383921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).