N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide

C21H27FN2O2S — CID 25386348

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide
SMILESCOCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1ccsc1
InChIInChI=1S/C21H27FN2O2S/c1-26-12-11-24(21(25)19-8-13-27-16-19)14-17-6-9-23(10-7-17)15-18-4-2-3-5-20(18)22/h2-5,8,13,16-17H,6-7,9-12,14-15H2,1H3
InChIKeyQYRCLCRVLKPZQH-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.89
Rot. Bonds8

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide (PubChem CID 25386348) has the molecular formula C21H27FN2O2S and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide
PubChem CID25386348
Molecular FormulaC21H27FN2O2S
Molecular Weight390.52 g/mol
Exact Mass390.18
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide
SMILESCOCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1ccsc1
InChIInChI=1S/C21H27FN2O2S/c1-26-12-11-24(21(25)19-8-13-27-16-19)14-17-6-9-23(10-7-17)15-18-4-2-3-5-20(18)22/h2-5,8,13,16-17H,6-7,9-12,14-15H2,1H3
InChIKeyQYRCLCRVLKPZQH-UHFFFAOYSA-N
XLogP3.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42592902
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 42511379
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 42512485
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]but-3-enamide
CID 42343578
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 42458350
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
CID 42212133
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 72880001
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 26315195
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methylsulfanylacetamide
CID 42190581
2-acetamido-N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 25384935
N-[2-(2-fluorophenyl)-1-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 45246837
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 156595577

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide (CID 25386348) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide is COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1ccsc1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide?
The InChIKey is QYRCLCRVLKPZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2S/c1-26-12-11-24(21(25)19-8-13-27-16-19)14-17-6-9-23(10-7-17)15-18-4-2-3-5-20(18)22/h2-5,8,13,16-17H,6-7,9-12,14-15H2,1H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide has a molecular weight of 390.52 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)thiophene-3-carboxamide is sourced from PubChem (CID 25386348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).