N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C24H28N4O3 — CID 24819449

IUPACN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)on1
InChIInChI=1S/C24H28N4O3/c1-18-15-23(31-26-18)17-27(2)24(29)19-6-8-21(9-7-19)30-22-10-13-28(14-11-22)16-20-5-3-4-12-25-20/h3-9,12,15,22H,10-11,13-14,16-17H2,1-2H3
InChIKeyHHEJXMJXBAOZJF-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.69
Rot. Bonds7

About N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24819449) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID24819449
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)on1
InChIInChI=1S/C24H28N4O3/c1-18-15-23(31-26-18)17-27(2)24(29)19-6-8-21(9-7-19)30-22-10-13-28(14-11-22)16-20-5-3-4-12-25-20/h3-9,12,15,22H,10-11,13-14,16-17H2,1-2H3
InChIKeyHHEJXMJXBAOZJF-UHFFFAOYSA-N
XLogP3.69
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 24819449) is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is Cc1cc(CN(C)C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)on1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is HHEJXMJXBAOZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-18-15-23(31-26-18)17-27(2)24(29)19-6-8-21(9-7-19)30-22-10-13-28(14-11-22)16-20-5-3-4-12-25-20/h3-9,12,15,22H,10-11,13-14,16-17H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 420.51 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24819449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).