(3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide

C22H28N4O4S — CID 92588753

IUPAC(3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide
SMILESCCc1cc(C(=O)N2CCC(c3cc(C(=O)N4CCC[C@@H](C(N)=O)C4)on3)CC2)cs1
InChIInChI=1S/C22H28N4O4S/c1-2-17-10-16(13-31-17)21(28)25-8-5-14(6-9-25)18-11-19(30-24-18)22(29)26-7-3-4-15(12-26)20(23)27/h10-11,13-15H,2-9,12H2,1H3,(H2,23,27)/t15-/m1/s1
InChIKeyJWPNBHDMRISAES-OAHLLOKOSA-N
MW444.56 g/mol
LogP2.66
Rot. Bonds5

About (3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide

(3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide (PubChem CID 92588753) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is (3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide
PubChem CID92588753
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name(3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide
SMILESCCc1cc(C(=O)N2CCC(c3cc(C(=O)N4CCC[C@@H](C(N)=O)C4)on3)CC2)cs1
InChIInChI=1S/C22H28N4O4S/c1-2-17-10-16(13-31-17)21(28)25-8-5-14(6-9-25)18-11-19(30-24-18)22(29)26-7-3-4-15(12-26)20(23)27/h10-11,13-15H,2-9,12H2,1H3,(H2,23,27)/t15-/m1/s1
InChIKeyJWPNBHDMRISAES-OAHLLOKOSA-N
XLogP2.66
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 110229079
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95768006
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124953619
(3-cyclopropyl-1,2-oxazol-5-yl)-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 135117274
(3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
CID 124962004
[3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92568102
[3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92574689
[3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 110228843
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
(3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 97191970
[3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 92570029
1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 110474094

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide (CID 92588753) is (3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide is CCc1cc(C(=O)N2CCC(c3cc(C(=O)N4CCC[C@@H](C(N)=O)C4)on3)CC2)cs1.
What is the InChIKey of (3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide?
The InChIKey is JWPNBHDMRISAES-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-2-17-10-16(13-31-17)21(28)25-8-5-14(6-9-25)18-11-19(30-24-18)22(29)26-7-3-4-15(12-26)20(23)27/h10-11,13-15H,2-9,12H2,1H3,(H2,23,27)/t15-/m1/s1.
What are the key properties of (3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide?
(3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 92588753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).