piperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate

C16H17FN2O2S — CID 130196521

IUPACpiperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate
SMILESO=C(Nc1ccsc1-c1ccc(F)cc1)OC1CCNCC1
InChIInChI=1S/C16H17FN2O2S/c17-12-3-1-11(2-4-12)15-14(7-10-22-15)19-16(20)21-13-5-8-18-9-6-13/h1-4,7,10,13,18H,5-6,8-9H2,(H,19,20)
InChIKeyXKMJLRCTOUDGAE-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.85
Rot. Bonds3

About piperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate

piperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate (PubChem CID 130196521) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is piperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate.

Molecular Properties

Compound Namepiperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate
PubChem CID130196521
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Namepiperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate
SMILESO=C(Nc1ccsc1-c1ccc(F)cc1)OC1CCNCC1
InChIInChI=1S/C16H17FN2O2S/c17-12-3-1-11(2-4-12)15-14(7-10-22-15)19-16(20)21-13-5-8-18-9-6-13/h1-4,7,10,13,18H,5-6,8-9H2,(H,19,20)
InChIKeyXKMJLRCTOUDGAE-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate?
The IUPAC name of piperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate (CID 130196521) is piperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate.
What is the SMILES notation for piperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate?
The canonical SMILES for piperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate is O=C(Nc1ccsc1-c1ccc(F)cc1)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate?
The InChIKey is XKMJLRCTOUDGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-12-3-1-11(2-4-12)15-14(7-10-22-15)19-16(20)21-13-5-8-18-9-6-13/h1-4,7,10,13,18H,5-6,8-9H2,(H,19,20).
What are the key properties of piperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate?
piperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate has a molecular weight of 320.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate is sourced from PubChem (CID 130196521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).