N-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide

C29H30FN3OS — CID 42317575

IUPACN-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1F)C1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C29H30FN3OS/c1-32(29(34)25-13-17-35-20-25)27(18-23-6-2-3-10-26(23)30)21-11-15-33(16-12-21)19-24-8-4-7-22-9-5-14-31-28(22)24/h2-10,13-14,17,20-21,27H,11-12,15-16,18-19H2,1H3/t27-/m0/s1
InChIKeyRBXHEIOLQQXKAW-MHZLTWQESA-N
MW487.64 g/mol
LogP6.03
Rot. Bonds7

About N-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide

N-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide (PubChem CID 42317575) has the molecular formula C29H30FN3OS and a molecular weight of 487.64 g/mol. Its IUPAC name is N-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
PubChem CID42317575
Molecular FormulaC29H30FN3OS
Molecular Weight487.64 g/mol
Exact Mass487.21
IUPAC NameN-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1F)C1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C29H30FN3OS/c1-32(29(34)25-13-17-35-20-25)27(18-23-6-2-3-10-26(23)30)21-11-15-33(16-12-21)19-24-8-4-7-22-9-5-14-31-28(22)24/h2-10,13-14,17,20-21,27H,11-12,15-16,18-19H2,1H3/t27-/m0/s1
InChIKeyRBXHEIOLQQXKAW-MHZLTWQESA-N
XLogP6.03
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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)-1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 42429334
N-[(1R)-2-(2-fluorophenyl)-1-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 26342286
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-[2-(2-fluorophenyl)-1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 45171491
N-[2-(2-fluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 45169122
N-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
CID 26329882
N-[(1R)-1-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 42331233
N-methyl-N-[(1S)-2-phenyl-1-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 42276524
N-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
CID 45200785

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide (CID 42317575) is N-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide is CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1F)C1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of N-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide?
The InChIKey is RBXHEIOLQQXKAW-MHZLTWQESA-N. The full InChI is InChI=1S/C29H30FN3OS/c1-32(29(34)25-13-17-35-20-25)27(18-23-6-2-3-10-26(23)30)21-11-15-33(16-12-21)19-24-8-4-7-22-9-5-14-31-28(22)24/h2-10,13-14,17,20-21,27H,11-12,15-16,18-19H2,1H3/t27-/m0/s1.
What are the key properties of N-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide?
N-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide has a molecular weight of 487.64 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 42317575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).