N-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide

C21H22N4O3 — CID 68779114

IUPACN-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide
SMILESO=C(CCc1ccccc1)N1CCN(C(=O)Nc2noc3ccccc23)CC1
InChIInChI=1S/C21H22N4O3/c26-19(11-10-16-6-2-1-3-7-16)24-12-14-25(15-13-24)21(27)22-20-17-8-4-5-9-18(17)28-23-20/h1-9H,10-15H2,(H,22,23,27)
InChIKeyRWHLEIHSMGDOOM-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.14
Rot. Bonds4

About N-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide

N-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide (PubChem CID 68779114) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide
PubChem CID68779114
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide
SMILESO=C(CCc1ccccc1)N1CCN(C(=O)Nc2noc3ccccc23)CC1
InChIInChI=1S/C21H22N4O3/c26-19(11-10-16-6-2-1-3-7-16)24-12-14-25(15-13-24)21(27)22-20-17-8-4-5-9-18(17)28-23-20/h1-9H,10-15H2,(H,22,23,27)
InChIKeyRWHLEIHSMGDOOM-UHFFFAOYSA-N
XLogP3.14
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide
CID 68777853
benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate
CID 68780053
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-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-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carboxamide
CID 25133439
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-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
CID 71508673
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide (CID 68779114) is N-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide is O=C(CCc1ccccc1)N1CCN(C(=O)Nc2noc3ccccc23)CC1.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide?
The InChIKey is RWHLEIHSMGDOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-19(11-10-16-6-2-1-3-7-16)24-12-14-25(15-13-24)21(27)22-20-17-8-4-5-9-18(17)28-23-20/h1-9H,10-15H2,(H,22,23,27).
What are the key properties of N-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide?
N-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)-4-(3-phenylpropanoyl)piperazine-1-carboxamide is sourced from PubChem (CID 68779114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).