N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide

C23H22N4O5 — CID 50767369

IUPACN-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)cc2)no1
InChIInChI=1S/C23H22N4O5/c1-14-24-21(26-32-14)15-2-4-17(5-3-15)23(29)27-10-8-16(9-11-27)22(28)25-18-6-7-19-20(12-18)31-13-30-19/h2-7,12,16H,8-11,13H2,1H3,(H,25,28)
InChIKeyOJCXRDQDHHOPJO-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.26
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 50767369) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
PubChem CID50767369
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)cc2)no1
InChIInChI=1S/C23H22N4O5/c1-14-24-21(26-32-14)15-2-4-17(5-3-15)23(29)27-10-8-16(9-11-27)22(28)25-18-6-7-19-20(12-18)31-13-30-19/h2-7,12,16H,8-11,13H2,1H3,(H,25,28)
InChIKeyOJCXRDQDHHOPJO-UHFFFAOYSA-N
XLogP3.26
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-(2-chloroquinoline-6-carbonyl)piperidine-4-carboxamide
CID 55731130
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767396
N-(1,3-benzodioxol-5-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 41410894
N-[4-[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]phenyl]acetamide
CID 50925853
N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50828671
4-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119179810
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 50767376
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 50806800
N-(1,3-benzodioxol-5-yl)-1-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperidine-4-carboxamide
CID 31715054
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide (CID 50767369) is N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide is Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)cc2)no1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is OJCXRDQDHHOPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-14-24-21(26-32-14)15-2-4-17(5-3-15)23(29)27-10-8-16(9-11-27)22(28)25-18-6-7-19-20(12-18)31-13-30-19/h2-7,12,16H,8-11,13H2,1H3,(H,25,28).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 50767369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).