4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide

C20H21N5O3 — CID 68777853

IUPAC4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)N1CCN(C(=O)Nc2noc3ccccc23)CC1
InChIInChI=1S/C20H21N5O3/c26-19(21-14-15-6-2-1-3-7-15)24-10-12-25(13-11-24)20(27)22-18-16-8-4-5-9-17(16)28-23-18/h1-9H,10-14H2,(H,21,26)(H,22,23,27)
InChIKeySAQKHJWGTUVJDN-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.89
Rot. Bonds3

About 4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide

4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide (PubChem CID 68777853) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide
PubChem CID68777853
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)N1CCN(C(=O)Nc2noc3ccccc23)CC1
InChIInChI=1S/C20H21N5O3/c26-19(21-14-15-6-2-1-3-7-15)24-10-12-25(13-11-24)20(27)22-18-16-8-4-5-9-17(16)28-23-18/h1-9H,10-14H2,(H,21,26)(H,22,23,27)
InChIKeySAQKHJWGTUVJDN-UHFFFAOYSA-N
XLogP2.89
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate
CID 68780053
N-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 68779114
N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide
CID 68724237
N-(1,2-benzoxazol-3-yl)-4-[(3-cyclopentylphenyl)methyl]piperazine-1-carboxamide
CID 71026723
N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide
CID 46274751
N-(1,2-benzoxazol-3-yl)-4-[[3-(2-bromophenyl)phenyl]methyl]piperazine-1-carboxamide
CID 71026665
N-(1,2-benzoxazol-3-yl)-4-[[3-(2-trimethylsilylethynyl)phenyl]methyl]piperazine-1-carboxamide
CID 68725099
N-(1,2-benzoxazol-3-yl)-4-[[3-(2,3-dichlorophenyl)phenyl]methyl]piperazine-1-carboxamide
CID 71026658
N-(1,2-benzoxazol-3-yl)-4-[[3-(2-cyclohexylethynyl)phenyl]methyl]piperazine-1-carboxamide
CID 25129699
N-benzylazonane-1-carboxamide
CID 130689649
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
CID 71508673

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide?
The IUPAC name of 4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide (CID 68777853) is 4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide is O=C(NCc1ccccc1)N1CCN(C(=O)Nc2noc3ccccc23)CC1.
What is the InChIKey of 4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide?
The InChIKey is SAQKHJWGTUVJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-19(21-14-15-6-2-1-3-7-15)24-10-12-25(13-11-24)20(27)22-18-16-8-4-5-9-17(16)28-23-18/h1-9H,10-14H2,(H,21,26)(H,22,23,27).
What are the key properties of 4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide?
4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide is sourced from PubChem (CID 68777853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).