N-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide

C14H20F2N4O2 — CID 175648382

IUPACN-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCOc1cc(N2CCC(CC(=O)NCC(F)F)CC2)ncn1
InChIInChI=1S/C14H20F2N4O2/c1-22-14-7-12(18-9-19-14)20-4-2-10(3-5-20)6-13(21)17-8-11(15)16/h7,9-11H,2-6,8H2,1H3,(H,17,21)
InChIKeyUOURMOIDBDMRIC-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.47
Rot. Bonds6

About N-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide

N-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 175648382) has the molecular formula C14H20F2N4O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID175648382
Molecular FormulaC14H20F2N4O2
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC NameN-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCOc1cc(N2CCC(CC(=O)NCC(F)F)CC2)ncn1
InChIInChI=1S/C14H20F2N4O2/c1-22-14-7-12(18-9-19-14)20-4-2-10(3-5-20)6-13(21)17-8-11(15)16/h7,9-11H,2-6,8H2,1H3,(H,17,21)
InChIKeyUOURMOIDBDMRIC-UHFFFAOYSA-N
XLogP1.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 32114116
1-(2-Cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600681
9-(6-Methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471367
N-[2-(6-piperidino-4-pyrimidinyloxy)ethyl]cyclopropanecarboxamide
CID 44069694
N-(2-((6-morpholinopyrimidin-4-yl)oxy)ethyl)cyclopentanecarboxamide
CID 45541869
N-(6-methoxypyrimidin-4-yl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71795731
(6S)-4-(2,6-dimethoxypyrimidin-4-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97207038
(4S)-N-(6-methoxypyrimidin-4-yl)-4-methylazepane-1-carboxamide
CID 97350296
N-[(1-acetylpiperidin-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129621793
N-{[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl}-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 131942741
4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 138043020
[1-(6-Methoxypyrimidin-4-yl)piperidin-4-yl]-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methyl]carbamic acid
CID 122651643

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide (CID 175648382) is N-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide is COc1cc(N2CCC(CC(=O)NCC(F)F)CC2)ncn1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is UOURMOIDBDMRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O2/c1-22-14-7-12(18-9-19-14)20-4-2-10(3-5-20)6-13(21)17-8-11(15)16/h7,9-11H,2-6,8H2,1H3,(H,17,21).
What are the key properties of N-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
N-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 314.34 g/mol, XLogP of 1.47, 6 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-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 175648382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).