piperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone

C13H24N2OS — CID 82511997

IUPACpiperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone
SMILESCC(C)SC1(C(=O)N2CCNCC2)CCCC1
InChIInChI=1S/C13H24N2OS/c1-11(2)17-13(5-3-4-6-13)12(16)15-9-7-14-8-10-15/h11,14H,3-10H2,1-2H3
InChIKeyCBGJIOQPWCCJOG-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.87
Rot. Bonds3

About piperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone

piperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone (PubChem CID 82511997) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is piperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone
PubChem CID82511997
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Namepiperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone
SMILESCC(C)SC1(C(=O)N2CCNCC2)CCCC1
InChIInChI=1S/C13H24N2OS/c1-11(2)17-13(5-3-4-6-13)12(16)15-9-7-14-8-10-15/h11,14H,3-10H2,1-2H3
InChIKeyCBGJIOQPWCCJOG-UHFFFAOYSA-N
XLogP1.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopentyl)-piperazin-1-ylmethanone
CID 60868287
1,4-diazepan-1-yl-[1-(2-methylpropyl)cyclobutyl]methanone;hydrochloride
CID 119415243
[1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone
CID 82509882
2-(3-methylbutan-2-ylsulfanyl)-1-piperazin-1-ylpropan-1-one
CID 107754716
[4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone
CID 82509909
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one
CID 62544723
1-(1,4-diazepane-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62096963
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
(1-ethoxycyclopropyl)-piperazin-1-ylmethanone
CID 155895636
azepan-1-yl-(4-methylpiperidin-4-yl)methanone
CID 63121497

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone?
The IUPAC name of piperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone (CID 82511997) is piperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone.
What is the SMILES notation for piperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone?
The canonical SMILES for piperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone is CC(C)SC1(C(=O)N2CCNCC2)CCCC1.
What is the InChIKey of piperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone?
The InChIKey is CBGJIOQPWCCJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-11(2)17-13(5-3-4-6-13)12(16)15-9-7-14-8-10-15/h11,14H,3-10H2,1-2H3.
What are the key properties of piperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone?
piperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone has a molecular weight of 256.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(1-propan-2-ylsulfanylcyclopentyl)methanone is sourced from PubChem (CID 82511997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).