N-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide

C21H30N4O5 — CID 42214799

IUPACN-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2noc(CN3CCC(CCNC(C)=O)CC3)n2)c(OC)c1OC
InChIInChI=1S/C21H30N4O5/c1-14(26)22-10-7-15-8-11-25(12-9-15)13-18-23-21(24-30-18)16-5-6-17(27-2)20(29-4)19(16)28-3/h5-6,15H,7-13H2,1-4H3,(H,22,26)
InChIKeyRITSKJCEOHMOAI-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.50
Rot. Bonds9

About N-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide

N-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide (PubChem CID 42214799) has the molecular formula C21H30N4O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide
PubChem CID42214799
Molecular FormulaC21H30N4O5
Molecular Weight418.49 g/mol
Exact Mass418.22
IUPAC NameN-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2noc(CN3CCC(CCNC(C)=O)CC3)n2)c(OC)c1OC
InChIInChI=1S/C21H30N4O5/c1-14(26)22-10-7-15-8-11-25(12-9-15)13-18-23-21(24-30-18)16-5-6-17(27-2)20(29-4)19(16)28-3/h5-6,15H,7-13H2,1-4H3,(H,22,26)
InChIKeyRITSKJCEOHMOAI-UHFFFAOYSA-N
XLogP2.50
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 38138271
5-[[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 28737717
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 38144588
N-(3,4-dimethoxyphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38116274
1-(4-ethylpiperazin-1-yl)-2-[1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethanone
CID 86902074
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 45203283
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 38150611
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 26518855
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20922933
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 38142690
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(dipropylamino)ethyl]piperidine-4-carboxamide
CID 20922868
N-[3-(azepan-1-yl)propyl]-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922951

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide (CID 42214799) is N-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide is COc1ccc(-c2noc(CN3CCC(CCNC(C)=O)CC3)n2)c(OC)c1OC.
What is the InChIKey of N-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide?
The InChIKey is RITSKJCEOHMOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5/c1-14(26)22-10-7-15-8-11-25(12-9-15)13-18-23-21(24-30-18)16-5-6-17(27-2)20(29-4)19(16)28-3/h5-6,15H,7-13H2,1-4H3,(H,22,26).
What are the key properties of N-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide?
N-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide has a molecular weight of 418.49 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 42214799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).