[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone

C19H22FN3OS — CID 126892876

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CC(N3CCN(c4ccc(F)cc4)CC3)C2)s1
InChIInChI=1S/C19H22FN3OS/c1-14-2-7-18(25-14)19(24)23-12-17(13-23)22-10-8-21(9-11-22)16-5-3-15(20)4-6-16/h2-7,17H,8-13H2,1H3
InChIKeyLMLUEDRYCILUGU-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.84
Rot. Bonds3

About [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone

[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 126892876) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID126892876
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CC(N3CCN(c4ccc(F)cc4)CC3)C2)s1
InChIInChI=1S/C19H22FN3OS/c1-14-2-7-18(25-14)19(24)23-12-17(13-23)22-10-8-21(9-11-22)16-5-3-15(20)4-6-16/h2-7,17H,8-13H2,1H3
InChIKeyLMLUEDRYCILUGU-UHFFFAOYSA-N
XLogP2.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126892840
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 126892826
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 126892861
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18107439
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 136518800
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 24719086
3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 119100037
(2,5-dimethylthiophen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9207325
(2,4-dimethylphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42513573
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986014
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 126892876) is [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CC(N3CCN(c4ccc(F)cc4)CC3)C2)s1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is LMLUEDRYCILUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3OS/c1-14-2-7-18(25-14)19(24)23-12-17(13-23)22-10-8-21(9-11-22)16-5-3-15(20)4-6-16/h2-7,17H,8-13H2,1H3.
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 359.47 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 126892876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).