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

C24H26N6O2 — CID 71113032

IUPACN-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide
SMILESCc1nn(-c2noc(C3CCN(CCNC(=O)c4ccccc4)CC3)n2)c2ccccc12
InChIInChI=1S/C24H26N6O2/c1-17-20-9-5-6-10-21(20)30(27-17)24-26-23(32-28-24)19-11-14-29(15-12-19)16-13-25-22(31)18-7-3-2-4-8-18/h2-10,19H,11-16H2,1H3,(H,25,31)
InChIKeyLKZDIIOGFLNFLF-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.33
Rot. Bonds6

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

N-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide (PubChem CID 71113032) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide
PubChem CID71113032
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide
SMILESCc1nn(-c2noc(C3CCN(CCNC(=O)c4ccccc4)CC3)n2)c2ccccc12
InChIInChI=1S/C24H26N6O2/c1-17-20-9-5-6-10-21(20)30(27-17)24-26-23(32-28-24)19-11-14-29(15-12-19)16-13-25-22(31)18-7-3-2-4-8-18/h2-10,19H,11-16H2,1H3,(H,25,31)
InChIKeyLKZDIIOGFLNFLF-UHFFFAOYSA-N
XLogP3.33
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine
CID 71113030
2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 86711256
tert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142719047
3-(3-methylindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 71090117
5-[1-(3-methoxypropyl)piperidin-4-yl]-3-(3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole;hydrochloride
CID 142718995
4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 91829247
2-[4-[3-[3-(3-ethylindazol-1-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]piperidin-1-yl]acetic acid
CID 174721693
N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134478084
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
CID 10717651
5-(1-butan-2-ylpiperidin-4-yl)-3-(3-ethylindazol-1-yl)-1,2,4-oxadiazole
CID 71491701

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide?
The IUPAC name of N-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide (CID 71113032) is N-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide is Cc1nn(-c2noc(C3CCN(CCNC(=O)c4ccccc4)CC3)n2)c2ccccc12.
What is the InChIKey of N-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide?
The InChIKey is LKZDIIOGFLNFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-17-20-9-5-6-10-21(20)30(27-17)24-26-23(32-28-24)19-11-14-29(15-12-19)16-13-25-22(31)18-7-3-2-4-8-18/h2-10,19H,11-16H2,1H3,(H,25,31).
What are the key properties of N-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide?
N-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide has a molecular weight of 430.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 71113032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).