3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C23H28N4O3 — CID 86955022

IUPAC3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCc1noc2ncc(C(=O)NCC3CCCN(C)C3c3ccc(OC)cc3)cc12
InChIInChI=1S/C23H28N4O3/c1-4-20-19-12-17(14-25-23(19)30-26-20)22(28)24-13-16-6-5-11-27(2)21(16)15-7-9-18(29-3)10-8-15/h7-10,12,14,16,21H,4-6,11,13H2,1-3H3,(H,24,28)
InChIKeyOFZDEBXDOGURJH-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.61
Rot. Bonds6

About 3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 86955022) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID86955022
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCc1noc2ncc(C(=O)NCC3CCCN(C)C3c3ccc(OC)cc3)cc12
InChIInChI=1S/C23H28N4O3/c1-4-20-19-12-17(14-25-23(19)30-26-20)22(28)24-13-16-6-5-11-27(2)21(16)15-7-9-18(29-3)10-8-15/h7-10,12,14,16,21H,4-6,11,13H2,1-3H3,(H,24,28)
InChIKeyOFZDEBXDOGURJH-UHFFFAOYSA-N
XLogP3.61
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide
CID 86954874
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86955067
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methylsulfinylbenzamide
CID 86958503
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-pyridin-4-yloxybenzamide
CID 86954798
N-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]piperidine-4-carboxamide
CID 124687962
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methyl-3-nitrobenzamide
CID 86955076
1-(4-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]pyrazole-3-carboxamide
CID 86954875
2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
CID 86954891
4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide
CID 86954989
4-(5-amino-4-cyanopyrazol-1-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
CID 86958515
2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
CID 86954997
N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide
CID 86954895

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 86955022) is 3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCc1noc2ncc(C(=O)NCC3CCCN(C)C3c3ccc(OC)cc3)cc12.
What is the InChIKey of 3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is OFZDEBXDOGURJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-20-19-12-17(14-25-23(19)30-26-20)22(28)24-13-16-6-5-11-27(2)21(16)15-7-9-18(29-3)10-8-15/h7-10,12,14,16,21H,4-6,11,13H2,1-3H3,(H,24,28).
What are the key properties of 3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 86955022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).