N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane

C20H40F2N4O — CID 154670761

IUPACN-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane
SMILESCC.CC(C)C(=O)NC1CCN(CCN2CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/C18H34F2N4O.C2H6/c1-14(2)17(25)21-16-5-6-23(13-18(16,19)20)8-7-22-9-11-24(12-10-22)15(3)4;1-2/h14-16H,5-13H2,1-4H3,(H,21,25);1-2H3
InChIKeyWPOHWAACRJUUNR-UHFFFAOYSA-N
MW390.56 g/mol
LogP2.52
Rot. Bonds6

About N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane

N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane (PubChem CID 154670761) has the molecular formula C20H40F2N4O and a molecular weight of 390.56 g/mol. Its IUPAC name is N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane.

Molecular Properties

Compound NameN-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane
PubChem CID154670761
Molecular FormulaC20H40F2N4O
Molecular Weight390.56 g/mol
Exact Mass390.32
IUPAC NameN-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane
SMILESCC.CC(C)C(=O)NC1CCN(CCN2CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/C18H34F2N4O.C2H6/c1-14(2)17(25)21-16-5-6-23(13-18(16,19)20)8-7-22-9-11-24(12-10-22)15(3)4;1-2/h14-16H,5-13H2,1-4H3,(H,21,25);1-2H3
InChIKeyWPOHWAACRJUUNR-UHFFFAOYSA-N
XLogP2.52
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 153399082
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53501869
(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(trifluoromethylamino)propan-1-one
CID 21060519
3,3,3-Trifluoro-1-[4-methyl-3-(methylamino)piperidin-1-yl]propan-1-one
CID 21983824
2,2,2-trifluoro-N-[[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-4-yl]methyl]acetamide
CID 57989598
2,2,2-trifluoro-N-[[4-(4-methylpiperazin-1-yl)piperidin-4-yl]methyl]acetamide
CID 57989613
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
CID 62728779
2-(4-tert-butylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide
CID 68177756
2-(4-ethylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide
CID 68185906
[4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone
CID 70309089
N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide
CID 86245713

Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane?
The IUPAC name of N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane (CID 154670761) is N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane.
What is the SMILES notation for N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane?
The canonical SMILES for N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane is CC.CC(C)C(=O)NC1CCN(CCN2CCN(C(C)C)CC2)CC1(F)F.
What is the InChIKey of N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane?
The InChIKey is WPOHWAACRJUUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F2N4O.C2H6/c1-14(2)17(25)21-16-5-6-23(13-18(16,19)20)8-7-22-9-11-24(12-10-22)15(3)4;1-2/h14-16H,5-13H2,1-4H3,(H,21,25);1-2H3.
What are the key properties of N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane?
N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane has a molecular weight of 390.56 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane is sourced from PubChem (CID 154670761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).