N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide

C17H18Cl2N4O2 — CID 133351214

IUPACN-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1)C1CC1
InChIInChI=1S/C17H18Cl2N4O2/c18-12-7-11(8-13(19)9-12)15-21-17(25-22-15)23-5-3-14(4-6-23)20-16(24)10-1-2-10/h7-10,14H,1-6H2,(H,20,24)
InChIKeyWSSBNXGSJWCANQ-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.54
Rot. Bonds4

About N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 133351214) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID133351214
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC NameN-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1)C1CC1
InChIInChI=1S/C17H18Cl2N4O2/c18-12-7-11(8-13(19)9-12)15-21-17(25-22-15)23-5-3-14(4-6-23)20-16(24)10-1-2-10/h7-10,14H,1-6H2,(H,20,24)
InChIKeyWSSBNXGSJWCANQ-UHFFFAOYSA-N
XLogP3.54
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide
CID 133351602
cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
CID 133350736
N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358353
2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 128961180
N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 53023440
1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 133351608
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide
CID 38155425
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 22581244
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 22581243
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 53008811
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453900
N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519523

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide (CID 133351214) is N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1)C1CC1.
What is the InChIKey of N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is WSSBNXGSJWCANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c18-12-7-11(8-13(19)9-12)15-21-17(25-22-15)23-5-3-14(4-6-23)20-16(24)10-1-2-10/h7-10,14H,1-6H2,(H,20,24).
What are the key properties of N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 381.26 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 133351214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).