2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one

C19H25N3O2 — CID 136735586

IUPAC2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1CN1CCC[C@H](c2nc(C)c(C)c(=O)[nH]2)C1
InChIInChI=1S/C19H25N3O2/c1-13-14(2)20-18(21-19(13)23)16-8-6-10-22(12-16)11-15-7-4-5-9-17(15)24-3/h4-5,7,9,16H,6,8,10-12H2,1-3H3,(H,20,21,23)/t16-/m0/s1
InChIKeyUDLXPAQTRWQGLT-INIZCTEOSA-N
MW327.43 g/mol
LogP2.77
Rot. Bonds4

About 2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136735586) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136735586
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1CN1CCC[C@H](c2nc(C)c(C)c(=O)[nH]2)C1
InChIInChI=1S/C19H25N3O2/c1-13-14(2)20-18(21-19(13)23)16-8-6-10-22(12-16)11-15-7-4-5-9-17(15)24-3/h4-5,7,9,16H,6,8,10-12H2,1-3H3,(H,20,21,23)/t16-/m0/s1
InChIKeyUDLXPAQTRWQGLT-INIZCTEOSA-N
XLogP2.77
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136735566
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136707369
4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136504725
2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1H-imidazole-4-carboxylic acid
CID 146103415
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
7-[(2-methoxyphenyl)methyl]-2-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136850538
3-(bromomethyl)-1-[(2-methoxyphenyl)methyl]piperidine
CID 80680227
6-[(2-methoxyphenyl)methyl]-2-[(3R)-1-[(2R)-2-methylbutanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136892042
2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135973576
2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795642
2-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136869431

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 136735586) is 2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one is COc1ccccc1CN1CCC[C@H](c2nc(C)c(C)c(=O)[nH]2)C1.
What is the InChIKey of 2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is UDLXPAQTRWQGLT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-14(2)20-18(21-19(13)23)16-8-6-10-22(12-16)11-15-7-4-5-9-17(15)24-3/h4-5,7,9,16H,6,8,10-12H2,1-3H3,(H,20,21,23)/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 327.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136735586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).