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

C18H23ClN4O4 — CID 91909895

IUPACN-(3-chlorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCCCN2C(=O)Nc2cccc(Cl)c2)no1
InChIInChI=1S/C18H23ClN4O4/c1-25-9-10-26-12-16-21-17(22-27-16)15-7-2-3-8-23(15)18(24)20-14-6-4-5-13(19)11-14/h4-6,11,15H,2-3,7-10,12H2,1H3,(H,20,24)
InChIKeyOCVMAYTZJLHTBO-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.65
Rot. Bonds7

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

N-(3-chlorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (PubChem CID 91909895) has the molecular formula C18H23ClN4O4 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
PubChem CID91909895
Molecular FormulaC18H23ClN4O4
Molecular Weight394.86 g/mol
Exact Mass394.14
IUPAC NameN-(3-chlorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCCCN2C(=O)Nc2cccc(Cl)c2)no1
InChIInChI=1S/C18H23ClN4O4/c1-25-9-10-26-12-16-21-17(22-27-16)15-7-2-3-8-23(15)18(24)20-14-6-4-5-13(19)11-14/h4-6,11,15H,2-3,7-10,12H2,1H3,(H,20,24)
InChIKeyOCVMAYTZJLHTBO-UHFFFAOYSA-N
XLogP3.65
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 91920654
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CID 51075887
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CID 71860605
CID 71860605
CID 91907345
CID 91907345
CID 91909855
CID 91909855
CID 91909864
CID 91909864
CID 91909865
CID 91909865
CID 91909900
CID 91909900
CID 91920673
CID 91920673
CID 124043717
CID 124043717
CID 91907864
CID 91907864
CID 91909894
CID 91909894

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (CID 91909895) is N-(3-chlorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is COCCOCc1nc(C2CCCCN2C(=O)Nc2cccc(Cl)c2)no1.
What is the InChIKey of N-(3-chlorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The InChIKey is OCVMAYTZJLHTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O4/c1-25-9-10-26-12-16-21-17(22-27-16)15-7-2-3-8-23(15)18(24)20-14-6-4-5-13(19)11-14/h4-6,11,15H,2-3,7-10,12H2,1H3,(H,20,24).
What are the key properties of N-(3-chlorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
N-(3-chlorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91909895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).