1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide

C21H22N4O4 — CID 146040643

IUPAC1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)NCc3nc4ncccc4o3)CC2)c1
InChIInChI=1S/C21H22N4O4/c1-28-16-5-2-4-15(12-16)21(27)25-10-7-14(8-11-25)20(26)23-13-18-24-19-17(29-18)6-3-9-22-19/h2-6,9,12,14H,7-8,10-11,13H2,1H3,(H,23,26)
InChIKeyZKQOIOSDJJWMOL-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.40
Rot. Bonds5

About 1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide

1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 146040643) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID146040643
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)NCc3nc4ncccc4o3)CC2)c1
InChIInChI=1S/C21H22N4O4/c1-28-16-5-2-4-15(12-16)21(27)25-10-7-14(8-11-25)20(26)23-13-18-24-19-17(29-18)6-3-9-22-19/h2-6,9,12,14H,7-8,10-11,13H2,1H3,(H,23,26)
InChIKeyZKQOIOSDJJWMOL-UHFFFAOYSA-N
XLogP2.40
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(3-methoxybenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602064
N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004279
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 86285783
1-(3-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749040
1-(3-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749039
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113004742
1-(furan-3-carbonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35676446
1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide
CID 135109599
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009
1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 18104565

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 146040643) is 1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide is COc1cccc(C(=O)N2CCC(C(=O)NCc3nc4ncccc4o3)CC2)c1.
What is the InChIKey of 1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZKQOIOSDJJWMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-28-16-5-2-4-15(12-16)21(27)25-10-7-14(8-11-25)20(26)23-13-18-24-19-17(29-18)6-3-9-22-19/h2-6,9,12,14H,7-8,10-11,13H2,1H3,(H,23,26).
What are the key properties of 1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 146040643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).