1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

C26H36N4O2 — CID 25449787

IUPAC1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1ccc(C2(c3noc(CN4CCCC[C@H]4CCN4CCCC4=O)n3)CCCC2)cc1
InChIInChI=1S/C26H36N4O2/c1-20-9-11-21(12-10-20)26(14-3-4-15-26)25-27-23(32-28-25)19-30-16-5-2-7-22(30)13-18-29-17-6-8-24(29)31/h9-12,22H,2-8,13-19H2,1H3/t22-/m0/s1
InChIKeyKHKHWAVSKIKADM-QFIPXVFZSA-N
MW436.60 g/mol
LogP4.61
Rot. Bonds7

About 1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 25449787) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID25449787
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1ccc(C2(c3noc(CN4CCCC[C@H]4CCN4CCCC4=O)n3)CCCC2)cc1
InChIInChI=1S/C26H36N4O2/c1-20-9-11-21(12-10-20)26(14-3-4-15-26)25-27-23(32-28-25)19-30-16-5-2-7-22(30)13-18-29-17-6-8-24(29)31/h9-12,22H,2-8,13-19H2,1H3/t22-/m0/s1
InChIKeyKHKHWAVSKIKADM-QFIPXVFZSA-N
XLogP4.61
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 29085110
1-[2-[(2S)-1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 95718632
1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 42121848
1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 46967218
1-[2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 91833990
1-[2-[(2S)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 124752546
(3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 26316206
1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 25293471
1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 26319404
[1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 45219214
1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 46967217
1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
CID 173138107

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 25449787) is 1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is Cc1ccc(C2(c3noc(CN4CCCC[C@H]4CCN4CCCC4=O)n3)CCCC2)cc1.
What is the InChIKey of 1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is KHKHWAVSKIKADM-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-20-9-11-21(12-10-20)26(14-3-4-15-26)25-27-23(32-28-25)19-30-16-5-2-7-22(30)13-18-29-17-6-8-24(29)31/h9-12,22H,2-8,13-19H2,1H3/t22-/m0/s1.
What are the key properties of 1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 436.60 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 25449787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).