5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C20H23N3O3 — CID 136757579

IUPAC5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C20H23N3O3/c1-13-17(20(26)22-14(2)21-13)11-18(24)23-10-6-9-16(12-23)19(25)15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-12H2,1-2H3,(H,21,22,26)/t16-/m1/s1
InChIKeyDCGJMFLCDIVWMX-MRXNPFEDSA-N
MW353.42 g/mol
LogP2.05
Rot. Bonds4

About 5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136757579) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136757579
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C20H23N3O3/c1-13-17(20(26)22-14(2)21-13)11-18(24)23-10-6-9-16(12-23)19(25)15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-12H2,1-2H3,(H,21,22,26)/t16-/m1/s1
InChIKeyDCGJMFLCDIVWMX-MRXNPFEDSA-N
XLogP2.05
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-[2-[(3S)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757578
4-[(3S)-1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]benzoic acid
CID 136804322
2,4-dimethyl-5-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136764566
2,4-dimethyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 135933971
2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136693380
(3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid
CID 137147714
2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136670243
1-[3-(4-methylbenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110394612
2,4-dimethyl-5-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyrimidin-6-one
CID 135881334
2,4-dimethyl-5-[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136702711
1-[(3S)-3-benzoylpiperidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 95225274
4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136766353

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 136757579) is 5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(CC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)c(=O)[nH]1.
What is the InChIKey of 5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is DCGJMFLCDIVWMX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-17(20(26)22-14(2)21-13)11-18(24)23-10-6-9-16(12-23)19(25)15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-12H2,1-2H3,(H,21,22,26)/t16-/m1/s1.
What are the key properties of 5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 353.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136757579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).