2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide

C17H30F2N2O2 — CID 100646213

IUPAC2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide
SMILESC[C@@H](CNC(=O)C(F)(F)C1(O)CCCCC1)CN1CCCCC1
InChIInChI=1S/C17H30F2N2O2/c1-14(13-21-10-6-3-7-11-21)12-20-15(22)17(18,19)16(23)8-4-2-5-9-16/h14,23H,2-13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyPAFIFRWNYAQLDI-AWEZNQCLSA-N
MW332.44 g/mol
LogP2.56
Rot. Bonds6

About 2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide

2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide (PubChem CID 100646213) has the molecular formula C17H30F2N2O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide
PubChem CID100646213
Molecular FormulaC17H30F2N2O2
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC Name2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide
SMILESC[C@@H](CNC(=O)C(F)(F)C1(O)CCCCC1)CN1CCCCC1
InChIInChI=1S/C17H30F2N2O2/c1-14(13-21-10-6-3-7-11-21)12-20-15(22)17(18,19)16(23)8-4-2-5-9-16/h14,23H,2-13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyPAFIFRWNYAQLDI-AWEZNQCLSA-N
XLogP2.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
CID 102557187
2-ethyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-1-methylpiperidine-4-carboxamide
CID 169664392
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 72115444
(3S)-1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96111057
(3R)-1-[(1-hydroxy-4-methylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96111058
N-[1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 99715657
2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]acetamide
CID 100646202
2-(1-Hydroxycyclohexyl)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 109884567
N-[[1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]methyl]acetamide
CID 109898677
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide
CID 109898682
N-[[1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 109899222
1-[4-(2,2-Difluoroethyl)-3-ethylpiperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 109915369

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide (CID 100646213) is 2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide is C[C@@H](CNC(=O)C(F)(F)C1(O)CCCCC1)CN1CCCCC1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide?
The InChIKey is PAFIFRWNYAQLDI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H30F2N2O2/c1-14(13-21-10-6-3-7-11-21)12-20-15(22)17(18,19)16(23)8-4-2-5-9-16/h14,23H,2-13H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide?
2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclohexyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]acetamide is sourced from PubChem (CID 100646213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).