1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide

C18H29N3O3 — CID 71972548

IUPAC1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCc1noc(CC)c1CC(=O)N1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C18H29N3O3/c1-5-15-14(16(6-2)24-20-15)11-17(22)21-9-7-13(8-10-21)18(23)19-12(3)4/h12-13H,5-11H2,1-4H3,(H,19,23)
InChIKeyDMBULSYELQCFIE-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.11
Rot. Bonds6

About 1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 71972548) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID71972548
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCc1noc(CC)c1CC(=O)N1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C18H29N3O3/c1-5-15-14(16(6-2)24-20-15)11-17(22)21-9-7-13(8-10-21)18(23)19-12(3)4/h12-13H,5-11H2,1-4H3,(H,19,23)
InChIKeyDMBULSYELQCFIE-UHFFFAOYSA-N
XLogP2.11
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 71972548) is 1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide is CCc1noc(CC)c1CC(=O)N1CCC(C(=O)NC(C)C)CC1.
What is the InChIKey of 1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is DMBULSYELQCFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-5-15-14(16(6-2)24-20-15)11-17(22)21-9-7-13(8-10-21)18(23)19-12(3)4/h12-13H,5-11H2,1-4H3,(H,19,23).
What are the key properties of 1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 71972548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).