1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone

C20H26N4O3 — CID 52509003

IUPAC1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-14(20-21-19(22-27-20)16-5-6-16)23-9-11-24(12-10-23)18(25)13-15-3-7-17(26-2)8-4-15/h3-4,7-8,14,16H,5-6,9-13H2,1-2H3/t14-/m0/s1
InChIKeyVAOPTPOGRYCNIF-AWEZNQCLSA-N
MW370.45 g/mol
LogP2.40
Rot. Bonds6

About 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 52509003) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID52509003
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-14(20-21-19(22-27-20)16-5-6-16)23-9-11-24(12-10-23)18(25)13-15-3-7-17(26-2)8-4-15/h3-4,7-8,14,16H,5-6,9-13H2,1-2H3/t14-/m0/s1
InChIKeyVAOPTPOGRYCNIF-AWEZNQCLSA-N
XLogP2.40
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 47053117
2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94028444
2-(4-chlorophenyl)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94028443
1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 94815780
cyclopentyl-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 94394067
[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 60500680
2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile
CID 63337328
2-(2,5-dimethoxyphenyl)-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 78870625
[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94032209
1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 53121854
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 94189858

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 52509003) is 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)cc1.
What is the InChIKey of 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is VAOPTPOGRYCNIF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14(20-21-19(22-27-20)16-5-6-16)23-9-11-24(12-10-23)18(25)13-15-3-7-17(26-2)8-4-15/h3-4,7-8,14,16H,5-6,9-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 370.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 52509003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).