3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide

C19H25N3O4 — CID 95212687

IUPAC3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC[C@H]2CCCN(Cc3ccon3)C2)c1
InChIInChI=1S/C19H25N3O4/c1-24-17-8-15(9-18(10-17)25-2)19(23)20-11-14-4-3-6-22(12-14)13-16-5-7-26-21-16/h5,7-10,14H,3-4,6,11-13H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyLRLFCDVODFPJOR-CQSZACIVSA-N
MW359.43 g/mol
LogP2.33
Rot. Bonds7

About 3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide

3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide (PubChem CID 95212687) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide
PubChem CID95212687
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC[C@H]2CCCN(Cc3ccon3)C2)c1
InChIInChI=1S/C19H25N3O4/c1-24-17-8-15(9-18(10-17)25-2)19(23)20-11-14-4-3-6-22(12-14)13-16-5-7-26-21-16/h5,7-10,14H,3-4,6,11-13H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyLRLFCDVODFPJOR-CQSZACIVSA-N
XLogP2.33
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 45226416
3,5-dimethoxy-N-[[(3R)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 97277347
N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide
CID 42098387
3,5-dimethoxy-N-[[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 26393347
N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723951
3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 96925768
3,5-dimethoxy-N-[[1-(2-methylsulfanylacetyl)piperidin-3-yl]methyl]benzamide
CID 45199638
3,5-dimethoxy-N-[[1-(thian-4-yl)piperidin-3-yl]methyl]benzamide
CID 45252489
N-[[(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide
CID 25369354
3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
CID 42216109
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 81177841

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide (CID 95212687) is 3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide is COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(Cc3ccon3)C2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is LRLFCDVODFPJOR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-24-17-8-15(9-18(10-17)25-2)19(23)20-11-14-4-3-6-22(12-14)13-16-5-7-26-21-16/h5,7-10,14H,3-4,6,11-13H2,1-2H3,(H,20,23)/t14-/m1/s1.
What are the key properties of 3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide?
3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95212687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).