(3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide

C21H26FN3O3 — CID 42449046

IUPAC(3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cc(Cc3cccc(F)c3)no2)C1
InChIInChI=1S/C21H26FN3O3/c1-3-24(4-2)20(26)16-8-6-10-25(14-16)21(27)19-13-18(23-28-19)12-15-7-5-9-17(22)11-15/h5,7,9,11,13,16H,3-4,6,8,10,12,14H2,1-2H3/t16-/m1/s1
InChIKeyMEEXRXOKGFWLRM-MRXNPFEDSA-N
MW387.46 g/mol
LogP3.13
Rot. Bonds6

About (3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide

(3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide (PubChem CID 42449046) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is (3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide
PubChem CID42449046
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name(3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cc(Cc3cccc(F)c3)no2)C1
InChIInChI=1S/C21H26FN3O3/c1-3-24(4-2)20(26)16-8-6-10-25(14-16)21(27)19-13-18(23-28-19)12-15-7-5-9-17(22)11-15/h5,7,9,11,13,16H,3-4,6,8,10,12,14H2,1-2H3/t16-/m1/s1
InChIKeyMEEXRXOKGFWLRM-MRXNPFEDSA-N
XLogP3.13
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide (CID 42449046) is (3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cc(Cc3cccc(F)c3)no2)C1.
What is the InChIKey of (3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide?
The InChIKey is MEEXRXOKGFWLRM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-3-24(4-2)20(26)16-8-6-10-25(14-16)21(27)19-13-18(23-28-19)12-15-7-5-9-17(22)11-15/h5,7,9,11,13,16H,3-4,6,8,10,12,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide?
(3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 42449046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).