1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide

C18H24N4O3 — CID 126459659

IUPAC1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(N3CCCC(C(=O)NC(C)C)C3)n2)cc1
InChIInChI=1S/C18H24N4O3/c1-12(2)19-17(23)14-5-4-10-22(11-14)18-20-16(21-25-18)13-6-8-15(24-3)9-7-13/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,19,23)
InChIKeyQNIMNMRCDWLFAM-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.49
Rot. Bonds5

About 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide

1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 126459659) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID126459659
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(N3CCCC(C(=O)NC(C)C)C3)n2)cc1
InChIInChI=1S/C18H24N4O3/c1-12(2)19-17(23)14-5-4-10-22(11-14)18-20-16(21-25-18)13-6-8-15(24-3)9-7-13/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,19,23)
InChIKeyQNIMNMRCDWLFAM-UHFFFAOYSA-N
XLogP2.49
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93077075
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 20904897
N-[(2-chlorophenyl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904891
N-(3,4-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20873273
N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904896
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 20904893
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide
CID 98471979
(3R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705220
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705221
(3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 129424366
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904909
N-ethyl-N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904860

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide (CID 126459659) is 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide is COc1ccc(-c2noc(N3CCCC(C(=O)NC(C)C)C3)n2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is QNIMNMRCDWLFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)19-17(23)14-5-4-10-22(11-14)18-20-16(21-25-18)13-6-8-15(24-3)9-7-13/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,19,23).
What are the key properties of 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide?
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 126459659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).