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

C26H32N4O3 — CID 43930929

IUPAC1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCCC(C(=O)NC(C)CCc4ccccc4)C3)n2)cc1
InChIInChI=1S/C26H32N4O3/c1-19(10-11-20-7-4-3-5-8-20)27-26(31)22-9-6-16-30(17-22)18-24-28-25(29-33-24)21-12-14-23(32-2)15-13-21/h3-5,7-8,12-15,19,22H,6,9-11,16-18H2,1-2H3,(H,27,31)
InChIKeyPBFSHGGAAYKGAM-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.09
Rot. Bonds9

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

1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide (PubChem CID 43930929) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
PubChem CID43930929
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCCC(C(=O)NC(C)CCc4ccccc4)C3)n2)cc1
InChIInChI=1S/C26H32N4O3/c1-19(10-11-20-7-4-3-5-8-20)27-26(31)22-9-6-16-30(17-22)18-24-28-25(29-33-24)21-12-14-23(32-2)15-13-21/h3-5,7-8,12-15,19,22H,6,9-11,16-18H2,1-2H3,(H,27,31)
InChIKeyPBFSHGGAAYKGAM-UHFFFAOYSA-N
XLogP4.09
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide
CID 43931125
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93077075
N-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930815
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-3-carboxamide
CID 43931121
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 43931346
N-(2,6-diethylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930862
N-[1-(4-tert-butylphenyl)ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930963
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930127
N-benzyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 43930731
N-butan-2-yl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931140
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 43930308
N-[3-(4-methoxyphenyl)propyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930545

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide (CID 43930929) is 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide is COc1ccc(-c2noc(CN3CCCC(C(=O)NC(C)CCc4ccccc4)C3)n2)cc1.
What is the InChIKey of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?
The InChIKey is PBFSHGGAAYKGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-19(10-11-20-7-4-3-5-8-20)27-26(31)22-9-6-16-30(17-22)18-24-28-25(29-33-24)21-12-14-23(32-2)15-13-21/h3-5,7-8,12-15,19,22H,6,9-11,16-18H2,1-2H3,(H,27,31).
What are the key properties of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide?
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.09, 9 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]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43930929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).