4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one

C23H26N4O3 — CID 136765718

IUPAC4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(CN2CCCC(c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1OC
InChIInChI=1S/C23H26N4O3/c1-29-20-8-7-16(11-21(20)30-2)14-27-10-4-6-18(15-27)19-12-22(28)26-23(25-19)17-5-3-9-24-13-17/h3,5,7-9,11-13,18H,4,6,10,14-15H2,1-2H3,(H,25,26,28)
InChIKeyGSSDKRYZVJYVFM-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.23
Rot. Bonds6

About 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one

4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 136765718) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
PubChem CID136765718
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(CN2CCCC(c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1OC
InChIInChI=1S/C23H26N4O3/c1-29-20-8-7-16(11-21(20)30-2)14-27-10-4-6-18(15-27)19-12-22(28)26-23(25-19)17-5-3-9-24-13-17/h3,5,7-9,11-13,18H,4,6,10,14-15H2,1-2H3,(H,25,26,28)
InChIKeyGSSDKRYZVJYVFM-UHFFFAOYSA-N
XLogP3.23
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765736
4-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765574
4-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136850242
2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 136673512
2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136797457
2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673538
4-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765807
4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765752
4-[(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136735250
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765709
4-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136797459
2-pyridin-3-yl-4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673524

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one (CID 136765718) is 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one is COc1ccc(CN2CCCC(c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1OC.
What is the InChIKey of 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one?
The InChIKey is GSSDKRYZVJYVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-20-8-7-16(11-21(20)30-2)14-27-10-4-6-18(15-27)19-12-22(28)26-23(25-19)17-5-3-9-24-13-17/h3,5,7-9,11-13,18H,4,6,10,14-15H2,1-2H3,(H,25,26,28).
What are the key properties of 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one?
4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 406.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136765718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).