N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

C19H22FN3O3 — CID 45224785

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)on1
InChIInChI=1S/C19H22FN3O3/c1-2-15-9-16(26-22-15)10-21-19(25)14-7-8-18(24)23(12-14)11-13-5-3-4-6-17(13)20/h3-6,9,14H,2,7-8,10-12H2,1H3,(H,21,25)
InChIKeyIENOXOPFUHUTFO-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.43
Rot. Bonds6

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 45224785) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID45224785
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)on1
InChIInChI=1S/C19H22FN3O3/c1-2-15-9-16(26-22-15)10-21-19(25)14-7-8-18(24)23(12-14)11-13-5-3-4-6-17(13)20/h3-6,9,14H,2,7-8,10-12H2,1H3,(H,21,25)
InChIKeyIENOXOPFUHUTFO-UHFFFAOYSA-N
XLogP2.43
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 45224785) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is CCc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is IENOXOPFUHUTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-2-15-9-16(26-22-15)10-21-19(25)14-7-8-18(24)23(12-14)11-13-5-3-4-6-17(13)20/h3-6,9,14H,2,7-8,10-12H2,1H3,(H,21,25).
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45224785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).