N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide

C19H21FN2O2S — CID 47071577

IUPACN-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(C(=O)CCc2ccc(F)cc2)CC1)c1ccsc1
InChIInChI=1S/C19H21FN2O2S/c20-16-4-1-14(2-5-16)3-6-18(23)22-10-7-17(8-11-22)21-19(24)15-9-12-25-13-15/h1-2,4-5,9,12-13,17H,3,6-8,10-11H2,(H,21,24)
InChIKeyKMFGIBBDZWPCCZ-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.24
Rot. Bonds5

About N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide

N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 47071577) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID47071577
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC NameN-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(C(=O)CCc2ccc(F)cc2)CC1)c1ccsc1
InChIInChI=1S/C19H21FN2O2S/c20-16-4-1-14(2-5-16)3-6-18(23)22-10-7-17(8-11-22)21-19(24)15-9-12-25-13-15/h1-2,4-5,9,12-13,17H,3,6-8,10-11H2,(H,21,24)
InChIKeyKMFGIBBDZWPCCZ-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119305242
N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide
CID 173093781
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935670
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822653
2,2,2-trifluoro-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108933023
2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108922373
4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide
CID 110248463
N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide
CID 133456795
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558137
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755
N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 46592898

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide (CID 47071577) is N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide is O=C(NC1CCN(C(=O)CCc2ccc(F)cc2)CC1)c1ccsc1.
What is the InChIKey of N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is KMFGIBBDZWPCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c20-16-4-1-14(2-5-16)3-6-18(23)22-10-7-17(8-11-22)21-19(24)15-9-12-25-13-15/h1-2,4-5,9,12-13,17H,3,6-8,10-11H2,(H,21,24).
What are the key properties of N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 47071577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).