1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone

C19H29N3O3 — CID 71972636

IUPAC1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
SMILESCCc1noc(CC)c1CC(=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-16-15(17(4-2)25-20-16)13-18(23)21-9-11-22(12-10-21)19(24)14-7-5-6-8-14/h14H,3-13H2,1-2H3
InChIKeyHQCNKZJVMVCTSX-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.20
Rot. Bonds5

About 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone (PubChem CID 71972636) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
PubChem CID71972636
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
SMILESCCc1noc(CC)c1CC(=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-16-15(17(4-2)25-20-16)13-18(23)21-9-11-22(12-10-21)19(24)14-7-5-6-8-14/h14H,3-13H2,1-2H3
InChIKeyHQCNKZJVMVCTSX-UHFFFAOYSA-N
XLogP2.20
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone (CID 71972636) is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone is CCc1noc(CC)c1CC(=O)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is HQCNKZJVMVCTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-16-15(17(4-2)25-20-16)13-18(23)21-9-11-22(12-10-21)19(24)14-7-5-6-8-14/h14H,3-13H2,1-2H3.
What are the key properties of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone?
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 347.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 71972636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).