(5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

C18H21FN2OS — CID 17249671

IUPAC(5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H21FN2OS/c1-2-16-7-8-17(23-16)18(22)21-11-9-20(10-12-21)13-14-3-5-15(19)6-4-14/h3-8H,2,9-13H2,1H3
InChIKeyQDILHQPJCROZQO-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.41
Rot. Bonds4

About (5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

(5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 17249671) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID17249671
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name(5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H21FN2OS/c1-2-16-7-8-17(23-16)18(22)21-11-9-20(10-12-21)13-14-3-5-15(19)6-4-14/h3-8H,2,9-13H2,1H3
InChIKeyQDILHQPJCROZQO-UHFFFAOYSA-N
XLogP3.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 17249671) is (5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is QDILHQPJCROZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-2-16-7-8-17(23-16)18(22)21-11-9-20(10-12-21)13-14-3-5-15(19)6-4-14/h3-8H,2,9-13H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
(5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 332.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 17249671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).