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

C21H21ClN4O3 — CID 44577691

IUPAC4-(2-chlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxamide
SMILESCc1noc(-c2cccc(NC(=O)N3CCC(Oc4ccccc4Cl)CC3)c2)n1
InChIInChI=1S/C21H21ClN4O3/c1-14-23-20(29-25-14)15-5-4-6-16(13-15)24-21(27)26-11-9-17(10-12-26)28-19-8-3-2-7-18(19)22/h2-8,13,17H,9-12H2,1H3,(H,24,27)
InChIKeyCITLKPZOWCVZNT-UHFFFAOYSA-N
MW412.88 g/mol
LogP4.77
Rot. Bonds4

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

4-(2-chlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxamide (PubChem CID 44577691) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxamide
PubChem CID44577691
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name4-(2-chlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxamide
SMILESCc1noc(-c2cccc(NC(=O)N3CCC(Oc4ccccc4Cl)CC3)c2)n1
InChIInChI=1S/C21H21ClN4O3/c1-14-23-20(29-25-14)15-5-4-6-16(13-15)24-21(27)26-11-9-17(10-12-26)28-19-8-3-2-7-18(19)22/h2-8,13,17H,9-12H2,1H3,(H,24,27)
InChIKeyCITLKPZOWCVZNT-UHFFFAOYSA-N
XLogP4.77
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxamide (CID 44577691) is 4-(2-chlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxamide is Cc1noc(-c2cccc(NC(=O)N3CCC(Oc4ccccc4Cl)CC3)c2)n1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is CITLKPZOWCVZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-14-23-20(29-25-14)15-5-4-6-16(13-15)24-21(27)26-11-9-17(10-12-26)28-19-8-3-2-7-18(19)22/h2-8,13,17H,9-12H2,1H3,(H,24,27).
What are the key properties of 4-(2-chlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxamide?
4-(2-chlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 412.88 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 44577691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).