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

C19H25N3O3 — CID 110355132

IUPAC7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESCC(C(=O)N1CCN(c2cccc3[nH]c(=O)oc23)CC1)C1CCCC1
InChIInChI=1S/C19H25N3O3/c1-13(14-5-2-3-6-14)18(23)22-11-9-21(10-12-22)16-8-4-7-15-17(16)25-19(24)20-15/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3,(H,20,24)
InChIKeyKAYYKUZXSSDLCD-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.60
Rot. Bonds3

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

7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 110355132) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
PubChem CID110355132
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESCC(C(=O)N1CCN(c2cccc3[nH]c(=O)oc23)CC1)C1CCCC1
InChIInChI=1S/C19H25N3O3/c1-13(14-5-2-3-6-14)18(23)22-11-9-21(10-12-22)16-8-4-7-15-17(16)25-19(24)20-15/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3,(H,20,24)
InChIKeyKAYYKUZXSSDLCD-UHFFFAOYSA-N
XLogP2.60
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358018
N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide
CID 110358081
tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxylate
CID 170979759
7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358026
7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358074
7-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-3H-1,3-benzoxazol-2-one
CID 15950607
7-[(3R,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one
CID 143239451
7-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358109
2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110354943
7-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358105
2-chloro-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 43243118
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 93077023

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one (CID 110355132) is 7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one is CC(C(=O)N1CCN(c2cccc3[nH]c(=O)oc23)CC1)C1CCCC1.
What is the InChIKey of 7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is KAYYKUZXSSDLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(14-5-2-3-6-14)18(23)22-11-9-21(10-12-22)16-8-4-7-15-17(16)25-19(24)20-15/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3,(H,20,24).
What are the key properties of 7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 343.43 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110355132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).