5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

C19H23N3O2 — CID 95549172

IUPAC5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ccccc1CC[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1
InChIInChI=1S/C19H23N3O2/c1-14-5-2-3-7-16(14)9-8-15-6-4-10-22(12-15)19(24)17-11-20-13-21-18(17)23/h2-3,5,7,11,13,15H,4,6,8-10,12H2,1H3,(H,20,21,23)/t15-/m1/s1
InChIKeyIAJFDRYZJHLIEU-OAHLLOKOSA-N
MW325.41 g/mol
LogP2.56
Rot. Bonds4

About 5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 95549172) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID95549172
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ccccc1CC[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1
InChIInChI=1S/C19H23N3O2/c1-14-5-2-3-7-16(14)9-8-15-6-4-10-22(12-15)19(24)17-11-20-13-21-18(17)23/h2-3,5,7,11,13,15H,4,6,8-10,12H2,1H3,(H,20,21,23)/t15-/m1/s1
InChIKeyIAJFDRYZJHLIEU-OAHLLOKOSA-N
XLogP2.56
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56878773
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42361597
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 26407024
[2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95542984
[2-(1H-imidazol-2-yl)phenyl]-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 56867799
1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 25386216
N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide
CID 72857419
[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 56869725
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95549951
2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 26390637
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 29028808
1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 45220879

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 95549172) is 5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1.
What is the InChIKey of 5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is IAJFDRYZJHLIEU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-5-2-3-7-16(14)9-8-15-6-4-10-22(12-15)19(24)17-11-20-13-21-18(17)23/h2-3,5,7,11,13,15H,4,6,8-10,12H2,1H3,(H,20,21,23)/t15-/m1/s1.
What are the key properties of 5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 325.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 95549172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).