[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone

C18H19FN2OS — CID 110681327

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone
SMILESO=C(C1CC1c1cccs1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H19FN2OS/c19-15-4-1-2-5-16(15)20-7-9-21(10-8-20)18(22)14-12-13(14)17-6-3-11-23-17/h1-6,11,13-14H,7-10,12H2
InChIKeyBTCVVFZAEZEIPL-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.34
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone (PubChem CID 110681327) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone
PubChem CID110681327
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone
SMILESO=C(C1CC1c1cccs1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H19FN2OS/c19-15-4-1-2-5-16(15)20-7-9-21(10-8-20)18(22)14-12-13(14)17-6-3-11-23-17/h1-6,11,13-14H,7-10,12H2
InChIKeyBTCVVFZAEZEIPL-UHFFFAOYSA-N
XLogP3.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681313
(4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681285
piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681274
ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate
CID 51896985
[4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 95967610
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 51896777
(4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109134358
(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 64823960
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 51191557
(4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 66240445
[4-(4-phenyloxane-4-carbonyl)piperazin-1-yl]-[(1R)-2-thiophen-2-ylcyclopropyl]methanone
CID 138391568

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone (CID 110681327) is [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone is O=C(C1CC1c1cccs1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone?
The InChIKey is BTCVVFZAEZEIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c19-15-4-1-2-5-16(15)20-7-9-21(10-8-20)18(22)14-12-13(14)17-6-3-11-23-17/h1-6,11,13-14H,7-10,12H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone has a molecular weight of 330.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone is sourced from PubChem (CID 110681327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).