N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide

C21H28N4O4 — CID 90602103

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)COc3ccc(C(C)C)cc3)CC2)n1
InChIInChI=1S/C21H28N4O4/c1-14(2)16-4-6-18(7-5-16)28-13-20(26)25-10-8-17(9-11-25)21(27)22-12-19-23-15(3)24-29-19/h4-7,14,17H,8-13H2,1-3H3,(H,22,27)
InChIKeyGREGDQYECJABCT-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.44
Rot. Bonds7

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide (PubChem CID 90602103) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
PubChem CID90602103
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)COc3ccc(C(C)C)cc3)CC2)n1
InChIInChI=1S/C21H28N4O4/c1-14(2)16-4-6-18(7-5-16)28-13-20(26)25-10-8-17(9-11-25)21(27)22-12-19-23-15(3)24-29-19/h4-7,14,17H,8-13H2,1-3H3,(H,22,27)
InChIKeyGREGDQYECJABCT-UHFFFAOYSA-N
XLogP2.44
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-methoxyphenoxy)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602099
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
CID 39702422
1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602031
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
ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
CID 1082805
1-N-(4-chlorophenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
CID 90602133
1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602058
1-(3-methoxybenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602064
1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 56724099
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(quinoxaline-2-carbonyl)piperidine-4-carboxamide
CID 90602247

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide (CID 90602103) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide is Cc1noc(CNC(=O)C2CCN(C(=O)COc3ccc(C(C)C)cc3)CC2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is GREGDQYECJABCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-14(2)16-4-6-18(7-5-16)28-13-20(26)25-10-8-17(9-11-25)21(27)22-12-19-23-15(3)24-29-19/h4-7,14,17H,8-13H2,1-3H3,(H,22,27).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 90602103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).