2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone

C19H31N3O2 — CID 71856772

IUPAC2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCCc1noc(CC)c1CC(=O)N1CCCC(N2CCCCC2)C1
InChIInChI=1S/C19H31N3O2/c1-3-17-16(18(4-2)24-20-17)13-19(23)22-12-8-9-15(14-22)21-10-6-5-7-11-21/h15H,3-14H2,1-2H3
InChIKeySUKVJZLLWRDHSY-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.82
Rot. Bonds5

About 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone

2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 71856772) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID71856772
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCCc1noc(CC)c1CC(=O)N1CCCC(N2CCCCC2)C1
InChIInChI=1S/C19H31N3O2/c1-3-17-16(18(4-2)24-20-17)13-19(23)22-12-8-9-15(14-22)21-10-6-5-7-11-21/h15H,3-14H2,1-2H3
InChIKeySUKVJZLLWRDHSY-UHFFFAOYSA-N
XLogP2.82
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone (CID 71856772) is 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone is CCc1noc(CC)c1CC(=O)N1CCCC(N2CCCCC2)C1.
What is the InChIKey of 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is SUKVJZLLWRDHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-17-16(18(4-2)24-20-17)13-19(23)22-12-8-9-15(14-22)21-10-6-5-7-11-21/h15H,3-14H2,1-2H3.
What are the key properties of 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone?
2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 333.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 71856772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).