[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C20H25FN4OS — CID 46943989

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)cs1
InChIInChI=1S/C20H25FN4OS/c1-15-22-19(14-27-15)20(26)25-8-2-3-18(13-25)24-11-9-23(10-12-24)17-6-4-16(21)5-7-17/h4-7,14,18H,2-3,8-13H2,1H3
InChIKeyFNILZUBDUQJFOH-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.02
Rot. Bonds3

About [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 46943989) has the molecular formula C20H25FN4OS and a molecular weight of 388.51 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID46943989
Molecular FormulaC20H25FN4OS
Molecular Weight388.51 g/mol
Exact Mass388.17
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)cs1
InChIInChI=1S/C20H25FN4OS/c1-15-22-19(14-27-15)20(26)25-8-2-3-18(13-25)24-11-9-23(10-12-24)17-6-4-16(21)5-7-17/h4-7,14,18H,2-3,8-13H2,1H3
InChIKeyFNILZUBDUQJFOH-UHFFFAOYSA-N
XLogP3.02
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 46943989) is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)cs1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is FNILZUBDUQJFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4OS/c1-15-22-19(14-27-15)20(26)25-8-2-3-18(13-25)24-11-9-23(10-12-24)17-6-4-16(21)5-7-17/h4-7,14,18H,2-3,8-13H2,1H3.
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 388.51 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 46943989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).