4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide

C16H16FN3O2S — CID 110866159

IUPAC4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccs1
InChIInChI=1S/C16H16FN3O2S/c17-12-3-5-13(6-4-12)19-7-9-20(10-8-19)16(22)18-15(21)14-2-1-11-23-14/h1-6,11H,7-10H2,(H,18,21,22)
InChIKeyWFCMIOZWJZLBLN-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.56
Rot. Bonds2

About 4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide

4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide (PubChem CID 110866159) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
PubChem CID110866159
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccs1
InChIInChI=1S/C16H16FN3O2S/c17-12-3-5-13(6-4-12)19-7-9-20(10-8-19)16(22)18-15(21)14-2-1-11-23-14/h1-6,11H,7-10H2,(H,18,21,22)
InChIKeyWFCMIOZWJZLBLN-UHFFFAOYSA-N
XLogP2.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 110866230
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-thiophen-2-ylacetamide
CID 113097730
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 42224892
4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
CID 17394875
4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
CID 17428053
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 95989208
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 5183080
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(thiophen-2-ylmethylsulfanyl)ethanone
CID 4292802
N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4508683
N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide
CID 112502848
N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110866118

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide (CID 110866159) is 4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide is O=C(NC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccs1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is WFCMIOZWJZLBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c17-12-3-5-13(6-4-12)19-7-9-20(10-8-19)16(22)18-15(21)14-2-1-11-23-14/h1-6,11H,7-10H2,(H,18,21,22).
What are the key properties of 4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 110866159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).