1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide

C14H14Cl2N4O2 — CID 126827300

IUPAC1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2noc(-c3cc(Cl)cc(Cl)c3)n2)C1
InChIInChI=1S/C14H14Cl2N4O2/c15-10-4-9(5-11(16)6-10)13-18-14(19-22-13)20-3-1-2-8(7-20)12(17)21/h4-6,8H,1-3,7H2,(H2,17,21)
InChIKeyYXAHPDVTHXJFCN-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.75
Rot. Bonds3

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

1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide (PubChem CID 126827300) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide
PubChem CID126827300
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC Name1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2noc(-c3cc(Cl)cc(Cl)c3)n2)C1
InChIInChI=1S/C14H14Cl2N4O2/c15-10-4-9(5-11(16)6-10)13-18-14(19-22-13)20-3-1-2-8(7-20)12(17)21/h4-6,8H,1-3,7H2,(H2,17,21)
InChIKeyYXAHPDVTHXJFCN-UHFFFAOYSA-N
XLogP2.75
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
CID 117008210
1-(6-amino-3,5-dichloro-2-pyridinyl)piperidine-3-carboxamide
CID 102754346
1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62869313
1-(5-aminopyrimidin-2-yl)piperidine-3-carboxamide
CID 61146740
1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide
CID 167927680
2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 63376854
1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide
CID 79075744
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62857822
6-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxamide
CID 91651046
2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
CID 133482694
6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid
CID 43196915

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide (CID 126827300) is 1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2noc(-c3cc(Cl)cc(Cl)c3)n2)C1.
What is the InChIKey of 1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide?
The InChIKey is YXAHPDVTHXJFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c15-10-4-9(5-11(16)6-10)13-18-14(19-22-13)20-3-1-2-8(7-20)12(17)21/h4-6,8H,1-3,7H2,(H2,17,21).
What are the key properties of 1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide?
1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide has a molecular weight of 341.20 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 126827300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).