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

C25H29ClN4O4 — CID 43927940

IUPAC1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)cc1OC
InChIInChI=1S/C25H29ClN4O4/c1-16(18-8-9-21(32-2)22(14-18)33-3)27-25(31)17-10-12-30(13-11-17)15-23-28-24(29-34-23)19-6-4-5-7-20(19)26/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,27,31)
InChIKeyFPMNWVUNMNMPNT-UHFFFAOYSA-N
MW484.98 g/mol
LogP4.50
Rot. Bonds8

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

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 43927940) has the molecular formula C25H29ClN4O4 and a molecular weight of 484.98 g/mol. Its IUPAC name is 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID43927940
Molecular FormulaC25H29ClN4O4
Molecular Weight484.98 g/mol
Exact Mass484.19
IUPAC Name1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)cc1OC
InChIInChI=1S/C25H29ClN4O4/c1-16(18-8-9-21(32-2)22(14-18)33-3)27-25(31)17-10-12-30(13-11-17)15-23-28-24(29-34-23)19-6-4-5-7-20(19)26/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,27,31)
InChIKeyFPMNWVUNMNMPNT-UHFFFAOYSA-N
XLogP4.50
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.98
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115680
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 43927957
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43933936
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 43927942
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide
CID 43928078
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43927574
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 43933937
N-[1-(3,4-dimethoxyphenyl)propyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926995
N-(3,4-dimethoxyphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38116274
N-(4-chloro-2,5-dimethoxyphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38138113
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 43928546
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43928237

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide (CID 43927940) is 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide is COc1ccc(C(C)NC(=O)C2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)cc1OC.
What is the InChIKey of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is FPMNWVUNMNMPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4/c1-16(18-8-9-21(32-2)22(14-18)33-3)27-25(31)17-10-12-30(13-11-17)15-23-28-24(29-34-23)19-6-4-5-7-20(19)26/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,27,31).
What are the key properties of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 484.98 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 43927940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).