1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide

C21H21N5O3 — CID 126475104

IUPAC1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1cnccn1)C1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C21H21N5O3/c27-20(16-7-12-26(13-8-16)21(28)18-6-9-24-29-18)25-19(15-4-2-1-3-5-15)17-14-22-10-11-23-17/h1-6,9-11,14,16,19H,7-8,12-13H2,(H,25,27)
InChIKeyXLLMYGOUPAMYTH-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.22
Rot. Bonds5

About 1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide

1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 126475104) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide
PubChem CID126475104
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1cnccn1)C1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C21H21N5O3/c27-20(16-7-12-26(13-8-16)21(28)18-6-9-24-29-18)25-19(15-4-2-1-3-5-15)17-14-22-10-11-23-17/h1-6,9-11,14,16,19H,7-8,12-13H2,(H,25,27)
InChIKeyXLLMYGOUPAMYTH-UHFFFAOYSA-N
XLogP2.22
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126471673
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-N-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxamide
CID 126474628
1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide
CID 126475651
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 134035144
1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126473165
1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 137423471
1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide
CID 167793693
1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126472444
tert-butyl 4-[[phenyl(pyridin-4-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 44765018
cyclopropyl-[4-[[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone;hydrochloride
CID 56672798
1,2-oxazol-5-yl-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 51897824

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide (CID 126475104) is 1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide is O=C(NC(c1ccccc1)c1cnccn1)C1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of 1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is XLLMYGOUPAMYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-20(16-7-12-26(13-8-16)21(28)18-6-9-24-29-18)25-19(15-4-2-1-3-5-15)17-14-22-10-11-23-17/h1-6,9-11,14,16,19H,7-8,12-13H2,(H,25,27).
What are the key properties of 1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide?
1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 126475104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).