4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide

C15H22F2N6O — CID 128764131

IUPAC4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cnc(N3CCNCC3)nc2)CCC1(F)F
InChIInChI=1S/C15H22F2N6O/c1-11-10-23(5-2-15(11,16)17)14(24)21-12-8-19-13(20-9-12)22-6-3-18-4-7-22/h8-9,11,18H,2-7,10H2,1H3,(H,21,24)
InChIKeyXLWIWDYZHDCEIL-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.40
Rot. Bonds2

About 4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide

4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide (PubChem CID 128764131) has the molecular formula C15H22F2N6O and a molecular weight of 340.38 g/mol. Its IUPAC name is 4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide
PubChem CID128764131
Molecular FormulaC15H22F2N6O
Molecular Weight340.38 g/mol
Exact Mass340.18
IUPAC Name4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cnc(N3CCNCC3)nc2)CCC1(F)F
InChIInChI=1S/C15H22F2N6O/c1-11-10-23(5-2-15(11,16)17)14(24)21-12-8-19-13(20-9-12)22-6-3-18-4-7-22/h8-9,11,18H,2-7,10H2,1H3,(H,21,24)
InChIKeyXLWIWDYZHDCEIL-UHFFFAOYSA-N
XLogP1.40
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide
CID 166295473
ethane;(4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone
CID 155711023
7-tert-butyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 167869599
N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 161311002
4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide
CID 154737713
1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride
CID 154810154
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide
CID 167758372
1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea
CID 128764240
1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea
CID 128764238
[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129487614
4,5-dichloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)pyrimidine
CID 146171975

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide (CID 128764131) is 4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide is CC1CN(C(=O)Nc2cnc(N3CCNCC3)nc2)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide?
The InChIKey is XLWIWDYZHDCEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N6O/c1-11-10-23(5-2-15(11,16)17)14(24)21-12-8-19-13(20-9-12)22-6-3-18-4-7-22/h8-9,11,18H,2-7,10H2,1H3,(H,21,24).
What are the key properties of 4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide?
4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 128764131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).