1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide

C22H24N4O3 — CID 141451666

IUPAC1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4n3C)cc2)CC1
InChIInChI=1S/C22H24N4O3/c1-15-9-11-25(12-10-15)18-5-3-17(4-6-18)23-22(27)21-14-16-13-19(26(28)29)7-8-20(16)24(21)2/h3-8,13-15H,9-12H2,1-2H3,(H,23,27)
InChIKeyXSSFIZOFUNIVEO-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.58
Rot. Bonds4

About 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide

1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide (PubChem CID 141451666) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide
PubChem CID141451666
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4n3C)cc2)CC1
InChIInChI=1S/C22H24N4O3/c1-15-9-11-25(12-10-15)18-5-3-17(4-6-18)23-22(27)21-14-16-13-19(26(28)29)7-8-20(16)24(21)2/h3-8,13-15H,9-12H2,1-2H3,(H,23,27)
InChIKeyXSSFIZOFUNIVEO-UHFFFAOYSA-N
XLogP4.58
TPSA80.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 21229734
1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide
CID 60527502
N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide chloride
CID 53352982
N-(4-carbamoylphenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 26252989
(2S)-N-(2-chloro-4-nitrophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25357702
N-methyl-2-(4-methylpiperidin-1-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-nitrobenzamide
CID 55328483
N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 43913870
N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]-3-nitrobenzamide
CID 4972043
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23095276
N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110691023
N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-nitrobenzamide
CID 99994784
N-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 26364765

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide?
The IUPAC name of 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide (CID 141451666) is 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide is CC1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4n3C)cc2)CC1.
What is the InChIKey of 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide?
The InChIKey is XSSFIZOFUNIVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-9-11-25(12-10-15)18-5-3-17(4-6-18)23-22(27)21-14-16-13-19(26(28)29)7-8-20(16)24(21)2/h3-8,13-15H,9-12H2,1-2H3,(H,23,27).
What are the key properties of 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide?
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-nitroindole-2-carboxamide is sourced from PubChem (CID 141451666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).