1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide

C19H26FN3O — CID 67626652

IUPAC1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide
SMILESCCCCN1CCC(n2c(C)c(C(N)=O)c3cc(F)ccc32)CC1
InChIInChI=1S/C19H26FN3O/c1-3-4-9-22-10-7-15(8-11-22)23-13(2)18(19(21)24)16-12-14(20)5-6-17(16)23/h5-6,12,15H,3-4,7-11H2,1-2H3,(H2,21,24)
InChIKeyBKSSNNOSOBJCSR-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.62
Rot. Bonds5

About 1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide

1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide (PubChem CID 67626652) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide
PubChem CID67626652
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide
SMILESCCCCN1CCC(n2c(C)c(C(N)=O)c3cc(F)ccc32)CC1
InChIInChI=1S/C19H26FN3O/c1-3-4-9-22-10-7-15(8-11-22)23-13(2)18(19(21)24)16-12-14(20)5-6-17(16)23/h5-6,12,15H,3-4,7-11H2,1-2H3,(H2,21,24)
InChIKeyBKSSNNOSOBJCSR-UHFFFAOYSA-N
XLogP3.62
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3791738
1-butyl-2-chloro-5-fluoroindole-3-carboxylic acid
CID 82268795
1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3787279
N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide
CID 56806715
1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide
CID 112795503
1-butyl-4-(3-fluorophenyl)piperidine
CID 174904971
N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide
CID 13490823
4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide
CID 3746110
1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3748139
2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol
CID 63066951
2-chloro-5-fluoro-1-propylindole-3-carboxylic acid
CID 82268779
4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 44573689

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide?
The IUPAC name of 1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide (CID 67626652) is 1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide?
The canonical SMILES for 1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide is CCCCN1CCC(n2c(C)c(C(N)=O)c3cc(F)ccc32)CC1.
What is the InChIKey of 1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide?
The InChIKey is BKSSNNOSOBJCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-3-4-9-22-10-7-15(8-11-22)23-13(2)18(19(21)24)16-12-14(20)5-6-17(16)23/h5-6,12,15H,3-4,7-11H2,1-2H3,(H2,21,24).
What are the key properties of 1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide?
1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylpiperidin-4-yl)-5-fluoro-2-methylindole-3-carboxamide is sourced from PubChem (CID 67626652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).