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

C29H36N4O3 — CID 110089253

IUPACN-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(CN2CCCC(c3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)on3)C2)c1
InChIInChI=1S/C29H36N4O3/c1-35-26-11-5-9-23(17-26)20-33-14-6-10-24(21-33)27-18-28(36-31-27)29(34)30-25-12-15-32(16-13-25)19-22-7-3-2-4-8-22/h2-5,7-9,11,17-18,24-25H,6,10,12-16,19-21H2,1H3,(H,30,34)
InChIKeyWBWYTNLIWOWYEU-UHFFFAOYSA-N
MW488.63 g/mol
LogP4.46
Rot. Bonds8

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

N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 110089253) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID110089253
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(CN2CCCC(c3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)on3)C2)c1
InChIInChI=1S/C29H36N4O3/c1-35-26-11-5-9-23(17-26)20-33-14-6-10-24(21-33)27-18-28(36-31-27)29(34)30-25-12-15-32(16-13-25)19-22-7-3-2-4-8-22/h2-5,7-9,11,17-18,24-25H,6,10,12-16,19-21H2,1H3,(H,30,34)
InChIKeyWBWYTNLIWOWYEU-UHFFFAOYSA-N
XLogP4.46
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide
CID 110252055
3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 95813060
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817
N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 95811596
N-[(4-methoxyphenyl)methyl]-3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92596071
[3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92599802
3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110229030
N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124999270
N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229025
N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124961712
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 N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 110089253) is N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is COc1cccc(CN2CCCC(c3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)on3)C2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is WBWYTNLIWOWYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-35-26-11-5-9-23(17-26)20-33-14-6-10-24(21-33)27-18-28(36-31-27)29(34)30-25-12-15-32(16-13-25)19-22-7-3-2-4-8-22/h2-5,7-9,11,17-18,24-25H,6,10,12-16,19-21H2,1H3,(H,30,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 488.63 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110089253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).