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

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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).