ethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen

C18H38F2N4O — CID 154671114

IUPACethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen
SMILESCC.CCC(=O)NC1CCN(CCN2CCN(CC)CC2)CC1(F)F.[H][H]
InChIInChI=1S/C16H30F2N4O.C2H6.H2/c1-3-15(23)19-14-5-6-22(13-16(14,17)18)12-11-21-9-7-20(4-2)8-10-21;1-2;/h14H,3-13H2,1-2H3,(H,19,23);1-2H3;1H
InChIKeyOMQYYAIRBKLDAK-UHFFFAOYSA-N
MW364.53 g/mol
LogP2.13
Rot. Bonds6

About ethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen

ethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen (PubChem CID 154671114) has the molecular formula C18H38F2N4O and a molecular weight of 364.53 g/mol. Its IUPAC name is ethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen
PubChem CID154671114
Molecular FormulaC18H38F2N4O
Molecular Weight364.53 g/mol
Exact Mass364.30
IUPAC Nameethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen
SMILESCC.CCC(=O)NC1CCN(CCN2CCN(CC)CC2)CC1(F)F.[H][H]
InChIInChI=1S/C16H30F2N4O.C2H6.H2/c1-3-15(23)19-14-5-6-22(13-16(14,17)18)12-11-21-9-7-20(4-2)8-10-21;1-2;/h14H,3-13H2,1-2H3,(H,19,23);1-2H3;1H
InChIKeyOMQYYAIRBKLDAK-UHFFFAOYSA-N
XLogP2.13
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 52.13
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-[4-(Methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 50989053
3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide
CID 51079646
2-[3-(4,4-difluoropiperidin-1-yl)propyl-methylamino]-N-propan-2-ylacetamide
CID 132390947
(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(trifluoromethylamino)propan-1-one
CID 21060519
1-(3,6-Diazabicyclo[3.1.1]heptan-3-yl)-3,3,3-trifluoropropan-1-one
CID 53242123
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
3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide
CID 60807380
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 ethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen?
The IUPAC name of ethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen (CID 154671114) is ethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen?
The canonical SMILES for ethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen is CC.CCC(=O)NC1CCN(CCN2CCN(CC)CC2)CC1(F)F.[H][H].
What is the InChIKey of ethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen?
The InChIKey is OMQYYAIRBKLDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N4O.C2H6.H2/c1-3-15(23)19-14-5-6-22(13-16(14,17)18)12-11-21-9-7-20(4-2)8-10-21;1-2;/h14H,3-13H2,1-2H3,(H,19,23);1-2H3;1H.
What are the key properties of ethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen?
ethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen has a molecular weight of 364.53 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen is sourced from PubChem (CID 154671114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).