N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide

C19H28F2N4O2 — CID 154756267

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide
SMILESCc1cc(N2CCC(N(C)C(=O)C(F)(F)C3(O)CCCC3)CC2)nc(C)n1
InChIInChI=1S/C19H28F2N4O2/c1-13-12-16(23-14(2)22-13)25-10-6-15(7-11-25)24(3)17(26)19(20,21)18(27)8-4-5-9-18/h12,15,27H,4-11H2,1-3H3
InChIKeyDZVSXIQMJZUVBN-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.46
Rot. Bonds4

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide (PubChem CID 154756267) has the molecular formula C19H28F2N4O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide
PubChem CID154756267
Molecular FormulaC19H28F2N4O2
Molecular Weight382.46 g/mol
Exact Mass382.22
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide
SMILESCc1cc(N2CCC(N(C)C(=O)C(F)(F)C3(O)CCCC3)CC2)nc(C)n1
InChIInChI=1S/C19H28F2N4O2/c1-13-12-16(23-14(2)22-13)25-10-6-15(7-11-25)24(3)17(26)19(20,21)18(27)8-4-5-9-18/h12,15,27H,4-11H2,1-3H3
InChIKeyDZVSXIQMJZUVBN-UHFFFAOYSA-N
XLogP2.46
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N,3-dimethylimidazole-4-carboxamide
CID 126816387
3-(2,5-dichlorophenyl)-1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1-methylurea
CID 99798806
(1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol
CID 97069243
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide
CID 146126199
1,1,3-trimethyl-3-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]urea
CID 166603402
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide
CID 75371675
N-[(1R)-6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 56942149
(3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 178044915
2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
CID 138020046
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335
2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol
CID 111543569
N-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 146074450

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide (CID 154756267) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide is Cc1cc(N2CCC(N(C)C(=O)C(F)(F)C3(O)CCCC3)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide?
The InChIKey is DZVSXIQMJZUVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N4O2/c1-13-12-16(23-14(2)22-13)25-10-6-15(7-11-25)24(3)17(26)19(20,21)18(27)8-4-5-9-18/h12,15,27H,4-11H2,1-3H3.
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide has a molecular weight of 382.46 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide is sourced from PubChem (CID 154756267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).