6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C17H25F2N3O2 — CID 126944154

IUPAC6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C(F)F)ncn1CC1CCN(CC2(O)CCCC2)CC1
InChIInChI=1S/C17H25F2N3O2/c18-16(19)14-9-15(23)22(12-20-14)10-13-3-7-21(8-4-13)11-17(24)5-1-2-6-17/h9,12-13,16,24H,1-8,10-11H2
InChIKeyDRBBMAQNBMDJDI-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.20
Rot. Bonds5

About 6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944154) has the molecular formula C17H25F2N3O2 and a molecular weight of 341.40 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944154
Molecular FormulaC17H25F2N3O2
Molecular Weight341.40 g/mol
Exact Mass341.19
IUPAC Name6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C(F)F)ncn1CC1CCN(CC2(O)CCCC2)CC1
InChIInChI=1S/C17H25F2N3O2/c18-16(19)14-9-15(23)22(12-20-14)10-13-3-7-21(8-4-13)11-17(24)5-1-2-6-17/h9,12-13,16,24H,1-8,10-11H2
InChIKeyDRBBMAQNBMDJDI-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944154) is 6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is O=c1cc(C(F)F)ncn1CC1CCN(CC2(O)CCCC2)CC1.
What is the InChIKey of 6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is DRBBMAQNBMDJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O2/c18-16(19)14-9-15(23)22(12-20-14)10-13-3-7-21(8-4-13)11-17(24)5-1-2-6-17/h9,12-13,16,24H,1-8,10-11H2.
What are the key properties of 6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 341.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).