4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide

C19H25N5O3 — CID 146070879

IUPAC4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2ccccc2)C(=O)C1Cc1nc(C)no1
InChIInChI=1S/C19H25N5O3/c1-3-9-20-19(26)24-11-10-23(13-15-7-5-4-6-8-15)18(25)16(24)12-17-21-14(2)22-27-17/h4-8,16H,3,9-13H2,1-2H3,(H,20,26)
InChIKeyHNNAFNAEDWSOJV-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.75
Rot. Bonds6

About 4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide

4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide (PubChem CID 146070879) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide
PubChem CID146070879
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2ccccc2)C(=O)C1Cc1nc(C)no1
InChIInChI=1S/C19H25N5O3/c1-3-9-20-19(26)24-11-10-23(13-15-7-5-4-6-8-15)18(25)16(24)12-17-21-14(2)22-27-17/h4-8,16H,3,9-13H2,1-2H3,(H,20,26)
InChIKeyHNNAFNAEDWSOJV-UHFFFAOYSA-N
XLogP1.75
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazin-2-one
CID 146069975
1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one
CID 146070019
1-benzyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 146070910
1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyridin-3-ylsulfonylpiperazin-2-one
CID 146070891
benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate
CID 101170964
N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 90564298
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 20932177
2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide
CID 119068276
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 113363783
4-benzyl-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide
CID 110959923
5-benzyl-4-oxo-N-propyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50798056
2-benzyl-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70756757

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide (CID 146070879) is 4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(Cc2ccccc2)C(=O)C1Cc1nc(C)no1.
What is the InChIKey of 4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide?
The InChIKey is HNNAFNAEDWSOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-3-9-20-19(26)24-11-10-23(13-15-7-5-4-6-8-15)18(25)16(24)12-17-21-14(2)22-27-17/h4-8,16H,3,9-13H2,1-2H3,(H,20,26).
What are the key properties of 4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide?
4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxo-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 146070879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).