N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

C26H26FN3OS — CID 11525168

IUPACN-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCN1CCC(N(Cc2cc(-c3ccc4[nH]ccc4c3)ccc2F)C(=O)c2cccs2)CC1
InChIInChI=1S/C26H26FN3OS/c1-29-12-9-22(10-13-29)30(26(31)25-3-2-14-32-25)17-21-16-18(4-6-23(21)27)19-5-7-24-20(15-19)8-11-28-24/h2-8,11,14-16,22,28H,9-10,12-13,17H2,1H3
InChIKeyYPMFOVMXSKGTSS-UHFFFAOYSA-N
MW447.58 g/mol
LogP5.77
Rot. Bonds5

About N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 11525168) has the molecular formula C26H26FN3OS and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID11525168
Molecular FormulaC26H26FN3OS
Molecular Weight447.58 g/mol
Exact Mass447.18
IUPAC NameN-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCN1CCC(N(Cc2cc(-c3ccc4[nH]ccc4c3)ccc2F)C(=O)c2cccs2)CC1
InChIInChI=1S/C26H26FN3OS/c1-29-12-9-22(10-13-29)30(26(31)25-3-2-14-32-25)17-21-16-18(4-6-23(21)27)19-5-7-24-20(15-19)8-11-28-24/h2-8,11,14-16,22,28H,9-10,12-13,17H2,1H3
InChIKeyYPMFOVMXSKGTSS-UHFFFAOYSA-N
XLogP5.77
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 11662227
pyrimidin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate
CID 68752511
N-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 143276916
N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 68749600
N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide
CID 39335113
N-(1-methylpiperidin-4-yl)-N-propylthiophene-2-carboxamide
CID 4231172
3-(1H-indol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 75444249
N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 56919076
N-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide
CID 166244177
N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide
CID 42325225
5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole
CID 91802060
N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide
CID 1169748

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 11525168) is N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is CN1CCC(N(Cc2cc(-c3ccc4[nH]ccc4c3)ccc2F)C(=O)c2cccs2)CC1.
What is the InChIKey of N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is YPMFOVMXSKGTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3OS/c1-29-12-9-22(10-13-29)30(26(31)25-3-2-14-32-25)17-21-16-18(4-6-23(21)27)19-5-7-24-20(15-19)8-11-28-24/h2-8,11,14-16,22,28H,9-10,12-13,17H2,1H3.
What are the key properties of N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 11525168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).