1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide

C30H32N4O3 — CID 38141380

IUPAC1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
SMILESCc1cccc(-c2noc(CN3CCC(C(=O)Nc4cccc(OCCc5ccccc5)c4)CC3)n2)c1
InChIInChI=1S/C30H32N4O3/c1-22-7-5-10-25(19-22)29-32-28(37-33-29)21-34-16-13-24(14-17-34)30(35)31-26-11-6-12-27(20-26)36-18-15-23-8-3-2-4-9-23/h2-12,19-20,24H,13-18,21H2,1H3,(H,31,35)
InChIKeyZUTGUIHSWPNYSO-UHFFFAOYSA-N
MW496.61 g/mol
LogP5.52
Rot. Bonds9

About 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide

1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 38141380) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
PubChem CID38141380
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
SMILESCc1cccc(-c2noc(CN3CCC(C(=O)Nc4cccc(OCCc5ccccc5)c4)CC3)n2)c1
InChIInChI=1S/C30H32N4O3/c1-22-7-5-10-25(19-22)29-32-28(37-33-29)21-34-16-13-24(14-17-34)30(35)31-26-11-6-12-27(20-26)36-18-15-23-8-3-2-4-9-23/h2-12,19-20,24H,13-18,21H2,1H3,(H,31,35)
InChIKeyZUTGUIHSWPNYSO-UHFFFAOYSA-N
XLogP5.52
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.52
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}-4-phenylpiperazine
CID 2215139
N-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 24793707
3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(3-methoxyphenyl)piperazino]propan-1-one
CID 25241701
1-[3-[2-(Dimethylamino)ethoxy]-4-iodophenyl]-3-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]urea;hydrochloride
CID 44533217
N-[4-iodo-3-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;hydrochloride
CID 44533221
N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50768304
N-[1-[3-[4-(2-phenoxazin-10-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 137659583
1-[2-[3-(4-Morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
CID 16736552
N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68686400
N-[3-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68687181
6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one
CID 68689125
N-(4-ethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 16030640

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide (CID 38141380) is 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide is Cc1cccc(-c2noc(CN3CCC(C(=O)Nc4cccc(OCCc5ccccc5)c4)CC3)n2)c1.
What is the InChIKey of 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is ZUTGUIHSWPNYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-22-7-5-10-25(19-22)29-32-28(37-33-29)21-34-16-13-24(14-17-34)30(35)31-26-11-6-12-27(20-26)36-18-15-23-8-3-2-4-9-23/h2-12,19-20,24H,13-18,21H2,1H3,(H,31,35).
What are the key properties of 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide?
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 38141380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).