N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide

C18H22N4O3 — CID 138022477

IUPACN-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCOCc1nc(N2CCC(NC(=O)c3ccccc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H22N4O3/c1-25-12-15-20-16(11-17(23)21-15)22-9-7-14(8-10-22)19-18(24)13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyVSRSUIWBLVFFNL-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.32
Rot. Bonds5

About N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide

N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide (PubChem CID 138022477) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide
PubChem CID138022477
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCOCc1nc(N2CCC(NC(=O)c3ccccc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H22N4O3/c1-25-12-15-20-16(11-17(23)21-15)22-9-7-14(8-10-22)19-18(24)13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyVSRSUIWBLVFFNL-UHFFFAOYSA-N
XLogP1.32
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528146
2-ethyl-4-[4-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958171
N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
CID 33378138
2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide
CID 136571000
N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide
CID 136988419
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528231
3-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528481
6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268045
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722
methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 136989698
N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2-methylsulfanylbenzamide
CID 136662159
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide (CID 138022477) is N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide is COCc1nc(N2CCC(NC(=O)c3ccccc3)CC2)cc(=O)[nH]1.
What is the InChIKey of N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide?
The InChIKey is VSRSUIWBLVFFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-25-12-15-20-16(11-17(23)21-15)22-9-7-14(8-10-22)19-18(24)13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,19,24)(H,20,21,23).
What are the key properties of N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide?
N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 138022477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).