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

C21H21ClN4O3 — CID 22519523

IUPACN-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)n2)cc1
InChIInChI=1S/C21H21ClN4O3/c1-28-18-7-5-14(6-8-18)19-24-21(29-25-19)26-11-9-15(10-12-26)20(27)23-17-4-2-3-16(22)13-17/h2-8,13,15H,9-12H2,1H3,(H,23,27)
InChIKeyQBUKNDQRFYJFKL-UHFFFAOYSA-N
MW412.88 g/mol
LogP4.25
Rot. Bonds5

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

N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (PubChem CID 22519523) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
PubChem CID22519523
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC NameN-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)n2)cc1
InChIInChI=1S/C21H21ClN4O3/c1-28-18-7-5-14(6-8-18)19-24-21(29-25-19)26-11-9-15(10-12-26)20(27)23-17-4-2-3-16(22)13-17/h2-8,13,15H,9-12H2,1H3,(H,23,27)
InChIKeyQBUKNDQRFYJFKL-UHFFFAOYSA-N
XLogP4.25
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (CID 22519523) is N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is COc1ccc(-c2noc(N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)n2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The InChIKey is QBUKNDQRFYJFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-28-18-7-5-14(6-8-18)19-24-21(29-25-19)26-11-9-15(10-12-26)20(27)23-17-4-2-3-16(22)13-17/h2-8,13,15H,9-12H2,1H3,(H,23,27).
What are the key properties of N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide has a molecular weight of 412.88 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 22519523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).