N-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide

C28H28FN3O2S — CID 45171491

IUPACN-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)C(Cc1ccccc1F)C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C28H28FN3O2S/c1-31(27(33)23-11-15-35-18-23)26(17-20-4-2-3-5-24(20)29)19-9-13-32(14-10-19)28(34)22-6-7-25-21(16-22)8-12-30-25/h2-8,11-12,15-16,18-19,26,30H,9-10,13-14,17H2,1H3
InChIKeyONUOARXQTAAHED-UHFFFAOYSA-N
MW489.62 g/mol
LogP5.60
Rot. Bonds6

About N-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide

N-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide (PubChem CID 45171491) has the molecular formula C28H28FN3O2S and a molecular weight of 489.62 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
PubChem CID45171491
Molecular FormulaC28H28FN3O2S
Molecular Weight489.62 g/mol
Exact Mass489.19
IUPAC NameN-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)C(Cc1ccccc1F)C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C28H28FN3O2S/c1-31(27(33)23-11-15-35-18-23)26(17-20-4-2-3-5-24(20)29)19-9-13-32(14-10-19)28(34)22-6-7-25-21(16-22)8-12-30-25/h2-8,11-12,15-16,18-19,26,30H,9-10,13-14,17H2,1H3
InChIKeyONUOARXQTAAHED-UHFFFAOYSA-N
XLogP5.60
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 45169122
N-[(1S)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide
CID 42325225
N-[(1R)-2-(2-fluorophenyl)-1-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 42211628
N-[(1S)-2-(2-fluorophenyl)-1-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 42211634
N-[(1R)-1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 42429334
N-[2-(2-fluorophenyl)-1-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 45246837
N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 45204957
N-[(1R)-2-(2-fluorophenyl)-1-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 26342286
N-[1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylcyclopropanecarboxamide
CID 45225227
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
N-[(1S)-1-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-3-carboxamide
CID 42435726
N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 25290635

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide (CID 45171491) is N-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide is CN(C(=O)c1ccsc1)C(Cc1ccccc1F)C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide?
The InChIKey is ONUOARXQTAAHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O2S/c1-31(27(33)23-11-15-35-18-23)26(17-20-4-2-3-5-24(20)29)19-9-13-32(14-10-19)28(34)22-6-7-25-21(16-22)8-12-30-25/h2-8,11-12,15-16,18-19,26,30H,9-10,13-14,17H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide?
N-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 45171491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).