7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one

C15H17N3O3 — CID 110358018

IUPAC7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C(C1CC1)N1CCN(c2cccc3[nH]c(=O)oc23)CC1
InChIInChI=1S/C15H17N3O3/c19-14(10-4-5-10)18-8-6-17(7-9-18)12-3-1-2-11-13(12)21-15(20)16-11/h1-3,10H,4-9H2,(H,16,20)
InChIKeyNOYCOTBRWXFVCA-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.18
Rot. Bonds2

About 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one

7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 110358018) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
PubChem CID110358018
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C(C1CC1)N1CCN(c2cccc3[nH]c(=O)oc23)CC1
InChIInChI=1S/C15H17N3O3/c19-14(10-4-5-10)18-8-6-17(7-9-18)12-3-1-2-11-13(12)21-15(20)16-11/h1-3,10H,4-9H2,(H,16,20)
InChIKeyNOYCOTBRWXFVCA-UHFFFAOYSA-N
XLogP1.18
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110355132
7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 126810896
7-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-3H-1,3-benzoxazol-2-one
CID 15950607
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 119827691
1-[4-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9152764
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 129377317
6-[4-(cyclohexanecarbonyl)-1,4-diazepane-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110807060
5-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,3-benzoxazol-2-one
CID 110803928
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124523270

Frequently Asked Questions

What is the IUPAC name of 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one (CID 110358018) is 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one is O=C(C1CC1)N1CCN(c2cccc3[nH]c(=O)oc23)CC1.
What is the InChIKey of 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is NOYCOTBRWXFVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14(10-4-5-10)18-8-6-17(7-9-18)12-3-1-2-11-13(12)21-15(20)16-11/h1-3,10H,4-9H2,(H,16,20).
What are the key properties of 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 287.32 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110358018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).