N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide

C23H27N3O3S — CID 20860018

IUPACN-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(Cc3nc(-c4cccs4)oc3C)C2)cc1
InChIInChI=1S/C23H27N3O3S/c1-16-20(25-23(29-16)21-6-4-12-30-21)15-26-11-3-5-18(14-26)22(27)24-13-17-7-9-19(28-2)10-8-17/h4,6-10,12,18H,3,5,11,13-15H2,1-2H3,(H,24,27)
InChIKeyOWWSUGNWLKJBLA-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.25
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 20860018) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID20860018
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(Cc3nc(-c4cccs4)oc3C)C2)cc1
InChIInChI=1S/C23H27N3O3S/c1-16-20(25-23(29-16)21-6-4-12-30-21)15-26-11-3-5-18(14-26)22(27)24-13-17-7-9-19(28-2)10-8-17/h4,6-10,12,18H,3,5,11,13-15H2,1-2H3,(H,24,27)
InChIKeyOWWSUGNWLKJBLA-UHFFFAOYSA-N
XLogP4.25
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 20860021
N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 134799941
N,N-diethyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 45202856
N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20859955
4-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42382192
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 56555149
N-(pyridin-4-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934995
methyl (2R)-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate
CID 69170817
N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928180
[(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516668
[(3S)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516670
(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 81491549

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide (CID 20860018) is N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide is COc1ccc(CNC(=O)C2CCCN(Cc3nc(-c4cccs4)oc3C)C2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is OWWSUGNWLKJBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-16-20(25-23(29-16)21-6-4-12-30-21)15-26-11-3-5-18(14-26)22(27)24-13-17-7-9-19(28-2)10-8-17/h4,6-10,12,18H,3,5,11,13-15H2,1-2H3,(H,24,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 20860018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).