2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide

C22H31N5O2 — CID 51727825

IUPAC2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide
SMILESC[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(CC(=O)NC2CCCC2)CC1
InChIInChI=1S/C22H31N5O2/c1-17(22-24-20(25-29-22)15-18-7-3-2-4-8-18)27-13-11-26(12-14-27)16-21(28)23-19-9-5-6-10-19/h2-4,7-8,17,19H,5-6,9-16H2,1H3,(H,23,28)/t17-/m0/s1
InChIKeyNTUYEWCALIAEFL-KRWDZBQOSA-N
MW397.52 g/mol
LogP2.40
Rot. Bonds7

About 2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide

2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide (PubChem CID 51727825) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide
PubChem CID51727825
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide
SMILESC[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(CC(=O)NC2CCCC2)CC1
InChIInChI=1S/C22H31N5O2/c1-17(22-24-20(25-29-22)15-18-7-3-2-4-8-18)27-13-11-26(12-14-27)16-21(28)23-19-9-5-6-10-19/h2-4,7-8,17,19H,5-6,9-16H2,1H3,(H,23,28)/t17-/m0/s1
InChIKeyNTUYEWCALIAEFL-KRWDZBQOSA-N
XLogP2.40
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 78870822
4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperazine-1-carboxamide
CID 94172116
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 119904663
[1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea
CID 167843276
N-cyclopentyl-3-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
CID 95284643
tert-butyl 4-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 42958503
1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 86895208
(2R)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 97191698
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 119138999
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 119138278
3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 51940356
4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 112840289

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide (CID 51727825) is 2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide is C[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(CC(=O)NC2CCCC2)CC1.
What is the InChIKey of 2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide?
The InChIKey is NTUYEWCALIAEFL-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-17(22-24-20(25-29-22)15-18-7-3-2-4-8-18)27-13-11-26(12-14-27)16-21(28)23-19-9-5-6-10-19/h2-4,7-8,17,19H,5-6,9-16H2,1H3,(H,23,28)/t17-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide?
2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide has a molecular weight of 397.52 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 51727825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).