N-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide

C16H21F2N5O — CID 175648849

IUPACN-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCn1ccc2c(N3CCC(CC(=O)NCC(F)F)CC3)ncnc21
InChIInChI=1S/C16H21F2N5O/c1-22-5-4-12-15(22)20-10-21-16(12)23-6-2-11(3-7-23)8-14(24)19-9-13(17)18/h4-5,10-11,13H,2-3,6-9H2,1H3,(H,19,24)
InChIKeyYARKUHRTKZXICU-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.96
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide

N-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 175648849) has the molecular formula C16H21F2N5O and a molecular weight of 337.37 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID175648849
Molecular FormulaC16H21F2N5O
Molecular Weight337.37 g/mol
Exact Mass337.17
IUPAC NameN-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCn1ccc2c(N3CCC(CC(=O)NCC(F)F)CC3)ncnc21
InChIInChI=1S/C16H21F2N5O/c1-22-5-4-12-15(22)20-10-21-16(12)23-6-2-11(3-7-23)8-14(24)19-9-13(17)18/h4-5,10-11,13H,2-3,6-9H2,1H3,(H,19,24)
InChIKeyYARKUHRTKZXICU-UHFFFAOYSA-N
XLogP1.96
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoroethyl)-2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 175648431
4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
CID 166602226
N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 163357688
N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 165435142
N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 175648415
2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175649231
4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
CID 171994855
2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175648477
N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide
CID 175650359
N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 166602271
7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine
CID 154575875
7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine
CID 110874977

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide (CID 175648849) is N-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide is Cn1ccc2c(N3CCC(CC(=O)NCC(F)F)CC3)ncnc21.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is YARKUHRTKZXICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O/c1-22-5-4-12-15(22)20-10-21-16(12)23-6-2-11(3-7-23)8-14(24)19-9-13(17)18/h4-5,10-11,13H,2-3,6-9H2,1H3,(H,19,24).
What are the key properties of N-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide?
N-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 337.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 175648849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).