3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide

C22H29N3O4 — CID 92595796

IUPAC3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CN2CCC(c3cc(C(=O)N[C@@H]4CCCOC4)on3)CC2)cc1
InChIInChI=1S/C22H29N3O4/c1-27-19-6-4-16(5-7-19)14-25-10-8-17(9-11-25)20-13-21(29-24-20)22(26)23-18-3-2-12-28-15-18/h4-7,13,17-18H,2-3,8-12,14-15H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyKADOZZNXUMRXBP-GOSISDBHSA-N
MW399.49 g/mol
LogP2.97
Rot. Bonds6

About 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide

3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92595796) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID92595796
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CN2CCC(c3cc(C(=O)N[C@@H]4CCCOC4)on3)CC2)cc1
InChIInChI=1S/C22H29N3O4/c1-27-19-6-4-16(5-7-19)14-25-10-8-17(9-11-25)20-13-21(29-24-20)22(26)23-18-3-2-12-28-15-18/h4-7,13,17-18H,2-3,8-12,14-15H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyKADOZZNXUMRXBP-GOSISDBHSA-N
XLogP2.97
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
CID 92568609
N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 110228833
N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110089253
3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
CID 92569564
N-[(4-methoxyphenyl)methyl]-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92596082
N-[(4-methoxyphenyl)methyl]-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228971
N-[(4-methoxyphenyl)methyl]-3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92596071
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817
[3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 92584153
N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 95811596
N-cyclopropyl-3-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228950
N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92568130

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide (CID 92595796) is 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide is COc1ccc(CN2CCC(c3cc(C(=O)N[C@@H]4CCCOC4)on3)CC2)cc1.
What is the InChIKey of 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is KADOZZNXUMRXBP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-27-19-6-4-16(5-7-19)14-25-10-8-17(9-11-25)20-13-21(29-24-20)22(26)23-18-3-2-12-28-15-18/h4-7,13,17-18H,2-3,8-12,14-15H2,1H3,(H,23,26)/t18-/m1/s1.
What are the key properties of 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide?
3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92595796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).