4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one

C19H21F2N3O2 — CID 136934078

IUPAC4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)c(C)c(=O)[nH]1
InChIInChI=1S/C19H21F2N3O2/c1-11-18(22-12(2)23-19(11)26)13-6-8-24(9-7-13)17(25)10-14-15(20)4-3-5-16(14)21/h3-5,13H,6-10H2,1-2H3,(H,22,23,26)
InChIKeyFKFLNNVLQKRPGC-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.61
Rot. Bonds3

About 4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one

4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136934078) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136934078
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)c(C)c(=O)[nH]1
InChIInChI=1S/C19H21F2N3O2/c1-11-18(22-12(2)23-19(11)26)13-6-8-24(9-7-13)17(25)10-14-15(20)4-3-5-16(14)21/h3-5,13H,6-10H2,1-2H3,(H,22,23,26)
InChIKeyFKFLNNVLQKRPGC-UHFFFAOYSA-N
XLogP2.61
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one (CID 136934078) is 4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)c(C)c(=O)[nH]1.
What is the InChIKey of 4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is FKFLNNVLQKRPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-11-18(22-12(2)23-19(11)26)13-6-8-24(9-7-13)17(25)10-14-15(20)4-3-5-16(14)21/h3-5,13H,6-10H2,1-2H3,(H,22,23,26).
What are the key properties of 4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one?
4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 361.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2,6-difluorophenyl)acetyl]piperidin-4-yl]-2,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136934078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).