2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide

C18H22N4O2 — CID 175660200

IUPAC2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C)nc(C2CCCCN2)n1
InChIInChI=1S/C18H22N4O2/c1-12-11-16(21-17(20-12)14-8-5-6-10-19-14)22-18(23)13-7-3-4-9-15(13)24-2/h3-4,7,9,11,14,19H,5-6,8,10H2,1-2H3,(H,20,21,22,23)
InChIKeyXBTPDOUWNYANMS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.86
Rot. Bonds4

About 2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide

2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide (PubChem CID 175660200) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide
PubChem CID175660200
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C)nc(C2CCCCN2)n1
InChIInChI=1S/C18H22N4O2/c1-12-11-16(21-17(20-12)14-8-5-6-10-19-14)22-18(23)13-7-3-4-9-15(13)24-2/h3-4,7,9,11,14,19H,5-6,8,10H2,1-2H3,(H,20,21,22,23)
InChIKeyXBTPDOUWNYANMS-UHFFFAOYSA-N
XLogP2.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 125004401
4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine
CID 124938852
(2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone
CID 92619877
N-(2-methoxy-6-piperidin-2-ylphenyl)acetamide
CID 117374229
N-[3-(cyclopentanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880084
2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone
CID 79536019
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 32864791
N-[3-(cyclohexanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880083
2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride
CID 175760684
2-methoxy-N-(1-methyltriazol-4-yl)benzamide
CID 112535372
N-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-methoxybenzamide
CID 86763634
2-methoxy-N-[(3-methylpiperidin-2-yl)methyl]benzamide
CID 63304743

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide (CID 175660200) is 2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide is COc1ccccc1C(=O)Nc1cc(C)nc(C2CCCCN2)n1.
What is the InChIKey of 2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide?
The InChIKey is XBTPDOUWNYANMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-11-16(21-17(20-12)14-8-5-6-10-19-14)22-18(23)13-7-3-4-9-15(13)24-2/h3-4,7,9,11,14,19H,5-6,8,10H2,1-2H3,(H,20,21,22,23).
What are the key properties of 2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide?
2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 175660200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).