3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide

C18H22N4O2 — CID 75494317

IUPAC3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(c3ccnc(C)n3)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-13-19-9-6-17(20-13)22-10-7-15(8-11-22)21-18(23)14-4-3-5-16(12-14)24-2/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,21,23)
InChIKeyGAXFECRDDBPQCT-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.19
Rot. Bonds4

About 3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide

3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide (PubChem CID 75494317) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide
PubChem CID75494317
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(c3ccnc(C)n3)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-13-19-9-6-17(20-13)22-10-7-15(8-11-22)21-18(23)14-4-3-5-16(12-14)24-2/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,21,23)
InChIKeyGAXFECRDDBPQCT-UHFFFAOYSA-N
XLogP2.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methoxybenzamide
CID 75394886
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-ethoxybenzamide
CID 136512750
3-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528481
3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528323
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide
CID 24830372
3-methoxy-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 47029925
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide (CID 75494317) is 3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide is COc1cccc(C(=O)NC2CCN(c3ccnc(C)n3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide?
The InChIKey is GAXFECRDDBPQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-19-9-6-17(20-13)22-10-7-15(8-11-22)21-18(23)14-4-3-5-16(12-14)24-2/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,21,23).
What are the key properties of 3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide?
3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 75494317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).