4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide

C15H16FN3OS — CID 136559164

IUPAC4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccsc1)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C15H16FN3OS/c16-12-2-1-3-14(10-12)18-5-7-19(8-6-18)15(20)17-13-4-9-21-11-13/h1-4,9-11H,5-8H2,(H,17,20)
InChIKeyVMRBMPWFMFKAQR-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.24
Rot. Bonds2

About 4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide

4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide (PubChem CID 136559164) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide
PubChem CID136559164
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccsc1)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C15H16FN3OS/c16-12-2-1-3-14(10-12)18-5-7-19(8-6-18)15(20)17-13-4-9-21-11-13/h1-4,9-11H,5-8H2,(H,17,20)
InChIKeyVMRBMPWFMFKAQR-UHFFFAOYSA-N
XLogP3.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114224
N-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113496
4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113114501
N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113781
4-(3,4-dimethylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113111648
N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113096
(2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide
CID 99775755
N-(2-chloro-4,6-dimethylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113392
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114029
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
2-chloro-1-[4-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 43822500

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide (CID 136559164) is 4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide is O=C(Nc1ccsc1)N1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide?
The InChIKey is VMRBMPWFMFKAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-12-2-1-3-14(10-12)18-5-7-19(8-6-18)15(20)17-13-4-9-21-11-13/h1-4,9-11H,5-8H2,(H,17,20).
What are the key properties of 4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide?
4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 136559164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).