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

C20H26N4O3 — CID 90641715

IUPAC3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)cc1
InChIInChI=1S/C20H26N4O3/c1-26-17-8-4-14(5-9-17)12-21-20(25)24-10-2-3-15(13-24)11-18-22-19(23-27-18)16-6-7-16/h4-5,8-9,15-16H,2-3,6-7,10-13H2,1H3,(H,21,25)
InChIKeyNGXTWJFIYKKZJI-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.12
Rot. Bonds6

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

3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 90641715) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID90641715
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)cc1
InChIInChI=1S/C20H26N4O3/c1-26-17-8-4-14(5-9-17)12-21-20(25)24-10-2-3-15(13-24)11-18-22-19(23-27-18)16-6-7-16/h4-5,8-9,15-16H,2-3,6-7,10-13H2,1H3,(H,21,25)
InChIKeyNGXTWJFIYKKZJI-UHFFFAOYSA-N
XLogP3.12
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 90641335
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 90641714
N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 86265899
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 90641486
(5-bromofuran-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90641539
(3R)-N-benzyl-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide
CID 95990869
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 86265900
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 90641474
tert-butyl 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 90641592
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 86265895
1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 99992695
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 99879009

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 90641715) is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)cc1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is NGXTWJFIYKKZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-17-8-4-14(5-9-17)12-21-20(25)24-10-2-3-15(13-24)11-18-22-19(23-27-18)16-6-7-16/h4-5,8-9,15-16H,2-3,6-7,10-13H2,1H3,(H,21,25).
What are the key properties of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 90641715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).