N'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide

C20H24FN3O2S — CID 16887354

IUPACN'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H24FN3O2S/c21-17-5-3-15(4-6-17)12-22-19(25)20(26)23-13-16-7-9-24(10-8-16)14-18-2-1-11-27-18/h1-6,11,16H,7-10,12-14H2,(H,22,25)(H,23,26)
InChIKeyFLBLUBOXFHELQB-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.53
Rot. Bonds6

About N'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide

N'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16887354) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16887354
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H24FN3O2S/c21-17-5-3-15(4-6-17)12-22-19(25)20(26)23-13-16-7-9-24(10-8-16)14-18-2-1-11-27-18/h1-6,11,16H,7-10,12-14H2,(H,22,25)(H,23,26)
InChIKeyFLBLUBOXFHELQB-UHFFFAOYSA-N
XLogP2.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide (CID 16887354) is N'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide is O=C(NCc1ccc(F)cc1)C(=O)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is FLBLUBOXFHELQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c21-17-5-3-15(4-6-17)12-22-19(25)20(26)23-13-16-7-9-24(10-8-16)14-18-2-1-11-27-18/h1-6,11,16H,7-10,12-14H2,(H,22,25)(H,23,26).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
N'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 389.50 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16887354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).