N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide

C24H26N4O4 — CID 46361301

IUPACN-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(-c4noc(C)n4)cc3)CC2)cc1
InChIInChI=1S/C24H26N4O4/c1-16-26-22(27-32-16)18-5-7-20(8-6-18)24(30)28-13-11-19(12-14-28)23(29)25-15-17-3-9-21(31-2)10-4-17/h3-10,19H,11-15H2,1-2H3,(H,25,29)
InChIKeyDDXRJZWRJXMCHE-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.22
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide

N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 46361301) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
PubChem CID46361301
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(-c4noc(C)n4)cc3)CC2)cc1
InChIInChI=1S/C24H26N4O4/c1-16-26-22(27-32-16)18-5-7-20(8-6-18)24(30)28-13-11-19(12-14-28)23(29)25-15-17-3-9-21(31-2)10-4-17/h3-10,19H,11-15H2,1-2H3,(H,25,29)
InChIKeyDDXRJZWRJXMCHE-UHFFFAOYSA-N
XLogP3.22
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767348
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 20956106
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-(4-methylbenzoyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 175941778
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 50806800
1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131934712
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
(2R)-N-[(4-chlorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]pyrrolidine-2-carboxamide
CID 92893367
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042
N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767369
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide (CID 46361301) is N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(-c4noc(C)n4)cc3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is DDXRJZWRJXMCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16-26-22(27-32-16)18-5-7-20(8-6-18)24(30)28-13-11-19(12-14-28)23(29)25-15-17-3-9-21(31-2)10-4-17/h3-10,19H,11-15H2,1-2H3,(H,25,29).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 46361301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).