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

C19H25N3O3 — CID 136707369

IUPAC2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1cccc(CN2CCCC(c3nc(C)cc(=O)[nH]3)C2)c1OC
InChIInChI=1S/C19H25N3O3/c1-13-10-17(23)21-19(20-13)15-7-5-9-22(12-15)11-14-6-4-8-16(24-2)18(14)25-3/h4,6,8,10,15H,5,7,9,11-12H2,1-3H3,(H,20,21,23)
InChIKeyVIGNMFUVXADBRD-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.48
Rot. Bonds5

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

2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136707369) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136707369
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1cccc(CN2CCCC(c3nc(C)cc(=O)[nH]3)C2)c1OC
InChIInChI=1S/C19H25N3O3/c1-13-10-17(23)21-19(20-13)15-7-5-9-22(12-15)11-14-6-4-8-16(24-2)18(14)25-3/h4,6,8,10,15H,5,7,9,11-12H2,1-3H3,(H,20,21,23)
InChIKeyVIGNMFUVXADBRD-UHFFFAOYSA-N
XLogP2.48
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136735586
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860401
2-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860398
2-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860350
2-[(3S)-1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136869637
2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136735481
2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-4-ethyl-1H-pyrimidin-6-one
CID 136707388
3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
CID 95855386
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
2-cyclopropyl-6-[(2,3-dimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916700
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 172891963
4-ethyl-2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136707395

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one (CID 136707369) is 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one is COc1cccc(CN2CCCC(c3nc(C)cc(=O)[nH]3)C2)c1OC.
What is the InChIKey of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is VIGNMFUVXADBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-10-17(23)21-19(20-13)15-7-5-9-22(12-15)11-14-6-4-8-16(24-2)18(14)25-3/h4,6,8,10,15H,5,7,9,11-12H2,1-3H3,(H,20,21,23).
What are the key properties of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one?
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 343.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136707369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).