N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide

C19H26N4O2 — CID 18156030

IUPACN-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESCC(C)Cc1noc(CN2CCC(NC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C19H26N4O2/c1-14(2)12-17-21-18(25-22-17)13-23-10-8-16(9-11-23)20-19(24)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,24)
InChIKeyWOSGISZYBFIQMA-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.66
Rot. Bonds6

About N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide

N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 18156030) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide
PubChem CID18156030
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESCC(C)Cc1noc(CN2CCC(NC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C19H26N4O2/c1-14(2)12-17-21-18(25-22-17)13-23-10-8-16(9-11-23)20-19(24)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,24)
InChIKeyWOSGISZYBFIQMA-UHFFFAOYSA-N
XLogP2.66
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 51097256
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 33106364
N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55537974
N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928186
N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192555
N-[1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192550
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid
CID 116684293
3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 134018585
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-propylacetamide
CID 134018408
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]acetic acid
CID 64618289

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide (CID 18156030) is N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide is CC(C)Cc1noc(CN2CCC(NC(=O)c3ccccc3)CC2)n1.
What is the InChIKey of N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is WOSGISZYBFIQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)12-17-21-18(25-22-17)13-23-10-8-16(9-11-23)20-19(24)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,24).
What are the key properties of N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide?
N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 342.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 18156030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).