4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one

C21H24FN3O2 — CID 136883249

IUPAC4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCC1(C)C[C@@]1(C(=O)N1CCC(c2cc(=O)[nH]cn2)CC1)c1ccccc1F
InChIInChI=1S/C21H24FN3O2/c1-20(2)12-21(20,15-5-3-4-6-16(15)22)19(27)25-9-7-14(8-10-25)17-11-18(26)24-13-23-17/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,23,24,26)/t21-/m0/s1
InChIKeyWWAWSPVTXCBTPY-NRFANRHFSA-N
MW369.44 g/mol
LogP2.98
Rot. Bonds3

About 4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one

4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136883249) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID136883249
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCC1(C)C[C@@]1(C(=O)N1CCC(c2cc(=O)[nH]cn2)CC1)c1ccccc1F
InChIInChI=1S/C21H24FN3O2/c1-20(2)12-21(20,15-5-3-4-6-16(15)22)19(27)25-9-7-14(8-10-25)17-11-18(26)24-13-23-17/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,23,24,26)/t21-/m0/s1
InChIKeyWWAWSPVTXCBTPY-NRFANRHFSA-N
XLogP2.98
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone
CID 99943550
[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 126435289
(4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 136801291
4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one
CID 136662274
4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135898022
3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide
CID 136662321
4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030382
4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136883288
[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 110436577
[1-(2-fluorophenyl)cyclopropyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110473638
4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136967921
4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide
CID 136664769

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one (CID 136883249) is 4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one is CC1(C)C[C@@]1(C(=O)N1CCC(c2cc(=O)[nH]cn2)CC1)c1ccccc1F.
What is the InChIKey of 4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is WWAWSPVTXCBTPY-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-20(2)12-21(20,15-5-3-4-6-16(15)22)19(27)25-9-7-14(8-10-25)17-11-18(26)24-13-23-17/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,23,24,26)/t21-/m0/s1.
What are the key properties of 4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 369.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136883249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).