N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C18H19FN2O2S — CID 46424833

IUPACN-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H19FN2O2S/c19-15-4-1-3-13(11-15)12-20-17(22)14-6-8-21(9-7-14)18(23)16-5-2-10-24-16/h1-5,10-11,14H,6-9,12H2,(H,20,22)
InChIKeyMNNHYXUHWHSPCP-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.06
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 46424833) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID46424833
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC NameN-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H19FN2O2S/c19-15-4-1-3-13(11-15)12-20-17(22)14-6-8-21(9-7-14)18(23)16-5-2-10-24-16/h1-5,10-11,14H,6-9,12H2,(H,20,22)
InChIKeyMNNHYXUHWHSPCP-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507
N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 33271886
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 828777
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
N-[(6-methoxy-3-pyridinyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51306117
N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511042
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9069109
N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide
CID 24674548
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55560269
N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002117

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 46424833) is N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(NCc1cccc(F)c1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is MNNHYXUHWHSPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c19-15-4-1-3-13(11-15)12-20-17(22)14-6-8-21(9-7-14)18(23)16-5-2-10-24-16/h1-5,10-11,14H,6-9,12H2,(H,20,22).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.06, 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]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46424833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).