(3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one

C24H34N4O2 — CID 92760069

IUPAC(3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one
SMILESCC[C@H](C)CC(=O)N1CCN(Cc2ccc(-c3noc(C4CCCC4)n3)cc2)CC1
InChIInChI=1S/C24H34N4O2/c1-3-18(2)16-22(29)28-14-12-27(13-15-28)17-19-8-10-20(11-9-19)23-25-24(30-26-23)21-6-4-5-7-21/h8-11,18,21H,3-7,12-17H2,1-2H3/t18-/m0/s1
InChIKeyLTKXEUXYQRONNL-SFHVURJKSA-N
MW410.56 g/mol
LogP4.47
Rot. Bonds7

About (3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one

(3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one (PubChem CID 92760069) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is (3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name(3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one
PubChem CID92760069
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name(3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one
SMILESCC[C@H](C)CC(=O)N1CCN(Cc2ccc(-c3noc(C4CCCC4)n3)cc2)CC1
InChIInChI=1S/C24H34N4O2/c1-3-18(2)16-22(29)28-14-12-27(13-15-28)17-19-8-10-20(11-9-19)23-25-24(30-26-23)21-6-4-5-7-21/h8-11,18,21H,3-7,12-17H2,1-2H3/t18-/m0/s1
InChIKeyLTKXEUXYQRONNL-SFHVURJKSA-N
XLogP4.47
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(3S)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 812533
N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide
CID 92771591
N-[1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 46099786
N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 92760760
1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 3226063
(3R)-1-[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3,5,5-trimethylhexan-1-one
CID 7297202
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 39585952
2-ethyl-1-[(3R)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 1454190
2-(4-fluorophenyl)-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 66618684
4-amino-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 120562038
2-amino-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 119314824
2-ethyl-1-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 1453889

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one?
The IUPAC name of (3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one (CID 92760069) is (3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one.
What is the SMILES notation for (3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one?
The canonical SMILES for (3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one is CC[C@H](C)CC(=O)N1CCN(Cc2ccc(-c3noc(C4CCCC4)n3)cc2)CC1.
What is the InChIKey of (3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one?
The InChIKey is LTKXEUXYQRONNL-SFHVURJKSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-3-18(2)16-22(29)28-14-12-27(13-15-28)17-19-8-10-20(11-9-19)23-25-24(30-26-23)21-6-4-5-7-21/h8-11,18,21H,3-7,12-17H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one?
(3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one has a molecular weight of 410.56 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one is sourced from PubChem (CID 92760069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).