(4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone

C22H26FN3OS — CID 55761553

IUPAC(4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone
SMILESO=C(c1cccnc1SCc1ccc(F)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H26FN3OS/c23-18-9-7-17(8-10-18)16-28-21-20(6-3-11-24-21)22(27)26-14-12-25(13-15-26)19-4-1-2-5-19/h3,6-11,19H,1-2,4-5,12-16H2
InChIKeyMLKYMSRWPIPGLJ-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.21
Rot. Bonds5

About (4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone

(4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone (PubChem CID 55761553) has the molecular formula C22H26FN3OS and a molecular weight of 399.54 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone
PubChem CID55761553
Molecular FormulaC22H26FN3OS
Molecular Weight399.54 g/mol
Exact Mass399.18
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone
SMILESO=C(c1cccnc1SCc1ccc(F)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H26FN3OS/c23-18-9-7-17(8-10-18)16-28-21-20(6-3-11-24-21)22(27)26-14-12-25(13-15-26)19-4-1-2-5-19/h3,6-11,19H,1-2,4-5,12-16H2
InChIKeyMLKYMSRWPIPGLJ-UHFFFAOYSA-N
XLogP4.21
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone with MolForge

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone
CID 60543306
(4-cyclobutyl-1,4-diazepan-1-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
CID 131703062
ethyl 6-[4-[2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]pyridine-3-carboxylate
CID 55912878
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
[3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone
CID 167815112
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56821345
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55972508
N-[3-(3-carbamoylpiperidin-1-yl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 56547756
[2-[(4-chlorophenyl)methylsulfanyl]-3-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 20967203
[4-(oxan-4-yl)piperazin-1-yl]-[4-(pyridin-2-ylsulfanylmethyl)phenyl]methanone
CID 131913034
(4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone
CID 134020884

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone (CID 55761553) is (4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone is O=C(c1cccnc1SCc1ccc(F)cc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone?
The InChIKey is MLKYMSRWPIPGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3OS/c23-18-9-7-17(8-10-18)16-28-21-20(6-3-11-24-21)22(27)26-14-12-25(13-15-26)19-4-1-2-5-19/h3,6-11,19H,1-2,4-5,12-16H2.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone?
(4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone has a molecular weight of 399.54 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone is sourced from PubChem (CID 55761553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).