N-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C19H21FN2O2S — CID 53117187

IUPACN-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCc2cccc(F)c2)CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C19H21FN2O2S/c1-19(18(24)21-12-14-5-2-6-15(20)11-14)8-4-9-22(13-19)17(23)16-7-3-10-25-16/h2-3,5-7,10-11H,4,8-9,12-13H2,1H3,(H,21,24)
InChIKeyJTDXVMUYCMOJLD-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.45
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 53117187) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID53117187
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC NameN-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCc2cccc(F)c2)CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C19H21FN2O2S/c1-19(18(24)21-12-14-5-2-6-15(20)11-14)8-4-9-22(13-19)17(23)16-7-3-10-25-16/h2-3,5-7,10-11H,4,8-9,12-13H2,1H3,(H,21,24)
InChIKeyJTDXVMUYCMOJLD-UHFFFAOYSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 53117187) is N-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CC1(C(=O)NCc2cccc(F)c2)CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is JTDXVMUYCMOJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-19(18(24)21-12-14-5-2-6-15(20)11-14)8-4-9-22(13-19)17(23)16-7-3-10-25-16/h2-3,5-7,10-11H,4,8-9,12-13H2,1H3,(H,21,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 53117187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).