3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide

C25H28N4O4 — CID 55803613

IUPAC3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
SMILESCOc1cc(C(=O)NC2CCCN(c3ncccn3)C2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H28N4O4/c1-31-21-14-19(15-22(32-2)23(21)33-17-18-8-4-3-5-9-18)24(30)28-20-10-6-13-29(16-20)25-26-11-7-12-27-25/h3-5,7-9,11-12,14-15,20H,6,10,13,16-17H2,1-2H3,(H,28,30)
InChIKeyMYFOQVLZCJJXAS-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.47
Rot. Bonds8

About 3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide

3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide (PubChem CID 55803613) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
PubChem CID55803613
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
SMILESCOc1cc(C(=O)NC2CCCN(c3ncccn3)C2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H28N4O4/c1-31-21-14-19(15-22(32-2)23(21)33-17-18-8-4-3-5-9-18)24(30)28-20-10-6-13-29(16-20)25-26-11-7-12-27-25/h3-5,7-9,11-12,14-15,20H,6,10,13,16-17H2,1-2H3,(H,28,30)
InChIKeyMYFOQVLZCJJXAS-UHFFFAOYSA-N
XLogP3.47
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 163363376
7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 166179895
3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45205527
2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 55802771
3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 46526102
2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55804031
1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 136525855
1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119355480
N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide
CID 47910567
N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55429489
3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide
CID 86965528
1-(5-chloro-2,4-dimethoxyphenyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 55809472

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide (CID 55803613) is 3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide is COc1cc(C(=O)NC2CCCN(c3ncccn3)C2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
The InChIKey is MYFOQVLZCJJXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-31-21-14-19(15-22(32-2)23(21)33-17-18-8-4-3-5-9-18)24(30)28-20-10-6-13-29(16-20)25-26-11-7-12-27-25/h3-5,7-9,11-12,14-15,20H,6,10,13,16-17H2,1-2H3,(H,28,30).
What are the key properties of 3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide has a molecular weight of 448.52 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide is sourced from PubChem (CID 55803613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).