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

C19H25N5O5 — CID 90602270

IUPAC1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)cc1OC
InChIInChI=1S/C19H25N5O5/c1-12-21-17(29-23-12)11-20-18(25)13-6-8-24(9-7-13)19(26)22-14-4-5-15(27-2)16(10-14)28-3/h4-5,10,13H,6-9,11H2,1-3H3,(H,20,25)(H,22,26)
InChIKeyJVMPNQUQDLTEPM-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.96
Rot. Bonds6

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

1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 90602270) has the molecular formula C19H25N5O5 and a molecular weight of 403.44 g/mol. Its IUPAC name is 1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
PubChem CID90602270
Molecular FormulaC19H25N5O5
Molecular Weight403.44 g/mol
Exact Mass403.19
IUPAC Name1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)cc1OC
InChIInChI=1S/C19H25N5O5/c1-12-21-17(29-23-12)11-20-18(25)13-6-8-24(9-7-13)19(26)22-14-4-5-15(27-2)16(10-14)28-3/h4-5,10,13H,6-9,11H2,1-3H3,(H,20,25)(H,22,26)
InChIKeyJVMPNQUQDLTEPM-UHFFFAOYSA-N
XLogP1.96
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-(4-chlorophenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
CID 90602133
1-N-(2,3-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
CID 90602146
1-[2-(4-methoxyphenoxy)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602099
1-(3-methoxybenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602064
4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide
CID 56724151
1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602129
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 56724145
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 3571668
1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602058
1-(3-bromobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602078
1-N-(4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 30940077
1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602032

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide (CID 90602270) is 1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide is COc1ccc(NC(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)cc1OC.
What is the InChIKey of 1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is JVMPNQUQDLTEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5/c1-12-21-17(29-23-12)11-20-18(25)13-6-8-24(9-7-13)19(26)22-14-4-5-15(27-2)16(10-14)28-3/h4-5,10,13H,6-9,11H2,1-3H3,(H,20,25)(H,22,26).
What are the key properties of 1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide?
1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 403.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 90602270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).