N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide

C23H30N4O4 — CID 91918981

IUPACN-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CCCC(Cc3nc(C4CCOCC4)no3)C2)cc1
InChIInChI=1S/C23H30N4O4/c1-16(28)24-20-6-4-17(5-7-20)14-22(29)27-10-2-3-18(15-27)13-21-25-23(26-31-21)19-8-11-30-12-9-19/h4-7,18-19H,2-3,8-15H2,1H3,(H,24,28)
InChIKeyHZBGRGGGCBZKSF-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.95
Rot. Bonds6

About N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide

N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide (PubChem CID 91918981) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
PubChem CID91918981
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CCCC(Cc3nc(C4CCOCC4)no3)C2)cc1
InChIInChI=1S/C23H30N4O4/c1-16(28)24-20-6-4-17(5-7-20)14-22(29)27-10-2-3-18(15-27)13-21-25-23(26-31-21)19-8-11-30-12-9-19/h4-7,18-19H,2-3,8-15H2,1H3,(H,24,28)
InChIKeyHZBGRGGGCBZKSF-UHFFFAOYSA-N
XLogP2.95
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

oxan-4-yl-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91918950
N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 86981185
N-[4-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 43403590
[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 91918927
[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 91908131
N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 86265899
1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 99992695
1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 99992838
(3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91918934
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 90641715
(5-bromofuran-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90641539
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 90641474

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide (CID 91918981) is N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)N2CCCC(Cc3nc(C4CCOCC4)no3)C2)cc1.
What is the InChIKey of N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide?
The InChIKey is HZBGRGGGCBZKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-16(28)24-20-6-4-17(5-7-20)14-22(29)27-10-2-3-18(15-27)13-21-25-23(26-31-21)19-8-11-30-12-9-19/h4-7,18-19H,2-3,8-15H2,1H3,(H,24,28).
What are the key properties of N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide?
N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide is sourced from PubChem (CID 91918981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).