N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide

C20H26FN3OS — CID 112810865

IUPACN-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)C(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H26FN3OS/c1-3-22(15-19-5-4-14-26-19)20(25)16(2)23-10-12-24(13-11-23)18-8-6-17(21)7-9-18/h4-9,14,16H,3,10-13,15H2,1-2H3
InChIKeySRULMDAJBIWPDO-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.45
Rot. Bonds6

About N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide

N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 112810865) has the molecular formula C20H26FN3OS and a molecular weight of 375.51 g/mol. Its IUPAC name is N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID112810865
Molecular FormulaC20H26FN3OS
Molecular Weight375.51 g/mol
Exact Mass375.18
IUPAC NameN-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)C(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H26FN3OS/c1-3-22(15-19-5-4-14-26-19)20(25)16(2)23-10-12-24(13-11-23)18-8-6-17(21)7-9-18/h4-9,14,16H,3,10-13,15H2,1-2H3
InChIKeySRULMDAJBIWPDO-UHFFFAOYSA-N
XLogP3.45
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 112810865) is N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide is CCN(Cc1cccs1)C(=O)C(C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is SRULMDAJBIWPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3OS/c1-3-22(15-19-5-4-14-26-19)20(25)16(2)23-10-12-24(13-11-23)18-8-6-17(21)7-9-18/h4-9,14,16H,3,10-13,15H2,1-2H3.
What are the key properties of N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 375.51 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 112810865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).