N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide

C23H26FN3O — CID 13490823

IUPACN-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide
SMILESCc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c2cc(F)ccc2n1C
InChIInChI=1S/C23H26FN3O/c1-16-22(20-14-18(24)8-9-21(20)26(16)2)23(28)25-19-10-12-27(13-11-19)15-17-6-4-3-5-7-17/h3-9,14,19H,10-13,15H2,1-2H3,(H,25,28)
InChIKeyZEELSQCMDWCFPK-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.02
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide

N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide (PubChem CID 13490823) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide
PubChem CID13490823
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide
SMILESCc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c2cc(F)ccc2n1C
InChIInChI=1S/C23H26FN3O/c1-16-22(20-14-18(24)8-9-21(20)26(16)2)23(28)25-19-10-12-27(13-11-19)15-17-6-4-3-5-7-17/h3-9,14,19H,10-13,15H2,1-2H3,(H,25,28)
InChIKeyZEELSQCMDWCFPK-UHFFFAOYSA-N
XLogP4.02
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 972217
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
N-(1-benzylpyrrolidin-3-yl)-2-bromo-5-fluorobenzamide
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N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 162651161
N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide
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N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide
CID 55532512
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide
CID 46964182
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55428292
N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 42791623
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 55960708

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide (CID 13490823) is N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide is Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c2cc(F)ccc2n1C.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide?
The InChIKey is ZEELSQCMDWCFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-16-22(20-14-18(24)8-9-21(20)26(16)2)23(28)25-19-10-12-27(13-11-19)15-17-6-4-3-5-7-17/h3-9,14,19H,10-13,15H2,1-2H3,(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide is sourced from PubChem (CID 13490823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).