4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one

C23H34N4O5 — CID 55826511

IUPAC4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
SMILESCCCc1noc(CCCC(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)n1
InChIInChI=1S/C23H34N4O5/c1-5-7-19-24-20(32-25-19)8-6-9-21(28)27-14-12-26(13-15-27)16-17-10-11-18(29-2)23(31-4)22(17)30-3/h10-11H,5-9,12-16H2,1-4H3
InChIKeyQMNOBCAVJQWRNN-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.71
Rot. Bonds11

About 4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one

4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one (PubChem CID 55826511) has the molecular formula C23H34N4O5 and a molecular weight of 446.55 g/mol. Its IUPAC name is 4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
PubChem CID55826511
Molecular FormulaC23H34N4O5
Molecular Weight446.55 g/mol
Exact Mass446.25
IUPAC Name4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
SMILESCCCc1noc(CCCC(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)n1
InChIInChI=1S/C23H34N4O5/c1-5-7-19-24-20(32-25-19)8-6-9-21(28)27-14-12-26(13-15-27)16-17-10-11-18(29-2)23(31-4)22(17)30-3/h10-11H,5-9,12-16H2,1-4H3
InChIKeyQMNOBCAVJQWRNN-UHFFFAOYSA-N
XLogP2.71
TPSA90.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 55713085
N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide
CID 39953095
3-methyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203196
2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 43017816
N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 20918557
1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 126780409
1-[4-(4-nitrophenyl)piperazin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 47051177
N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 20918424
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 120733903
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-one
CID 39686604
1-[5-[4-(4-methylphenyl)butyl]thiophen-2-yl]-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentane-1,5-dione
CID 15291020
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742

Frequently Asked Questions

What is the IUPAC name of 4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one (CID 55826511) is 4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one is CCCc1noc(CCCC(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)n1.
What is the InChIKey of 4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one?
The InChIKey is QMNOBCAVJQWRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O5/c1-5-7-19-24-20(32-25-19)8-6-9-21(28)27-14-12-26(13-15-27)16-17-10-11-18(29-2)23(31-4)22(17)30-3/h10-11H,5-9,12-16H2,1-4H3.
What are the key properties of 4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one?
4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one has a molecular weight of 446.55 g/mol, XLogP of 2.71, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 55826511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).