4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one

C19H25N3O3 — CID 136707375

IUPAC4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(C2CCCN(Cc3ccc(OC)cc3)C2)n1
InChIInChI=1S/C19H25N3O3/c1-24-13-16-10-18(23)21-19(20-16)15-4-3-9-22(12-15)11-14-5-7-17(25-2)8-6-14/h5-8,10,15H,3-4,9,11-13H2,1-2H3,(H,20,21,23)
InChIKeyDKORPRCSCYMZNI-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.30
Rot. Bonds6

About 4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one

4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136707375) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136707375
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(C2CCCN(Cc3ccc(OC)cc3)C2)n1
InChIInChI=1S/C19H25N3O3/c1-24-13-16-10-18(23)21-19(20-16)15-4-3-9-22(12-15)11-14-5-7-17(25-2)8-6-14/h5-8,10,15H,3-4,9,11-13H2,1-2H3,(H,20,21,23)
InChIKeyDKORPRCSCYMZNI-UHFFFAOYSA-N
XLogP2.30
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-phenyl-1H-pyrimidin-4-one
CID 135437680
2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 10848404
N-cyclohexyl-6-imino-7-[(4-methoxyphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3469750
N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151343
2-(benzylamino)-6-(4-methoxyphenyl)-4(3H)-pyrimidinone
CID 135414572
2-(4-Isopropoxybenzyl)-6-methyl-4-pyrimidinol
CID 135449245
5-hydroxy-N-[(4-methoxyphenyl)methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 168295620
4-Hydroxy-6-(4-methoxyphenyl)-2-morpholino-pyrimidine-5-carbonitrile
CID 135434911
N-(4-methoxybenzyl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010492
2-(4-Ethoxybenzyl)-6-methyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-ol
CID 135420399
2-azanylidene-1-[(4-methoxyphenyl)methyl]-5-oxidanylidene-N-(oxolan-2-ylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide
CID 3776489
2-Hydroxy-N-[(4-methoxyphenyl)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 135458500

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one (CID 136707375) is 4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(C2CCCN(Cc3ccc(OC)cc3)C2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is DKORPRCSCYMZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-24-13-16-10-18(23)21-19(20-16)15-4-3-9-22(12-15)11-14-5-7-17(25-2)8-6-14/h5-8,10,15H,3-4,9,11-13H2,1-2H3,(H,20,21,23).
What are the key properties of 4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 343.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136707375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).