2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide

C23H26N4O4 — CID 91135102

IUPAC2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N1CCN(CCC(=O)c2ccc3[nH]c(=O)oc3c2)CC1
InChIInChI=1S/C23H26N4O4/c1-16(22(29)24-18-5-3-2-4-6-18)27-13-11-26(12-14-27)10-9-20(28)17-7-8-19-21(15-17)31-23(30)25-19/h2-8,15-16H,9-14H2,1H3,(H,24,29)(H,25,30)
InChIKeyDOLOENUWHZWUSX-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.34
Rot. Bonds7

About 2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide

2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide (PubChem CID 91135102) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide
PubChem CID91135102
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N1CCN(CCC(=O)c2ccc3[nH]c(=O)oc3c2)CC1
InChIInChI=1S/C23H26N4O4/c1-16(22(29)24-18-5-3-2-4-6-18)27-13-11-26(12-14-27)10-9-20(28)17-7-8-19-21(15-17)31-23(30)25-19/h2-8,15-16H,9-14H2,1H3,(H,24,29)(H,25,30)
InChIKeyDOLOENUWHZWUSX-UHFFFAOYSA-N
XLogP2.34
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide with MolForge

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Related Compounds

(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
6-[2-(4-benzylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one;hydrochloride
CID 53387984
N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344771
(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720809
(3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate;hydrochloride
CID 78357775
N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344752
6-(4,4-dimethylpentanoyl)-3H-1,3-benzoxazol-2-one
CID 114212569
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 46802310
6-[3-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propanoyl]-3H-1,3-benzoxazol-2-one
CID 66598419
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 110608124
6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one
CID 11790876

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide?
The IUPAC name of 2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide (CID 91135102) is 2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for 2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)N1CCN(CCC(=O)c2ccc3[nH]c(=O)oc3c2)CC1.
What is the InChIKey of 2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide?
The InChIKey is DOLOENUWHZWUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-16(22(29)24-18-5-3-2-4-6-18)27-13-11-26(12-14-27)10-9-20(28)17-7-8-19-21(15-17)31-23(30)25-19/h2-8,15-16H,9-14H2,1H3,(H,24,29)(H,25,30).
What are the key properties of 2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide?
2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide has a molecular weight of 422.49 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 91135102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).