1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane

C23H44F2N4O — CID 176558181

IUPAC1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane
SMILESCC.CC(=O)N1CCN(C2CCN(CC3CCN(CC(C)C)CC3(F)F)CC2)CC1
InChIInChI=1S/C21H38F2N4O.C2H6/c1-17(2)14-25-7-4-19(21(22,23)16-25)15-24-8-5-20(6-9-24)27-12-10-26(11-13-27)18(3)28;1-2/h17,19-20H,4-16H2,1-3H3;1-2H3
InChIKeyHTPYESBQINMLPD-UHFFFAOYSA-N
MW430.63 g/mol
LogP3.25
Rot. Bonds5

About 1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane

1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane (PubChem CID 176558181) has the molecular formula C23H44F2N4O and a molecular weight of 430.63 g/mol. Its IUPAC name is 1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane
PubChem CID176558181
Molecular FormulaC23H44F2N4O
Molecular Weight430.63 g/mol
Exact Mass430.35
IUPAC Name1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane
SMILESCC.CC(=O)N1CCN(C2CCN(CC3CCN(CC(C)C)CC3(F)F)CC2)CC1
InChIInChI=1S/C21H38F2N4O.C2H6/c1-17(2)14-25-7-4-19(21(22,23)16-25)15-24-8-5-20(6-9-24)27-12-10-26(11-13-27)18(3)28;1-2/h17,19-20H,4-16H2,1-3H3;1-2H3
InChIKeyHTPYESBQINMLPD-UHFFFAOYSA-N
XLogP3.25
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.63
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 117617389
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 117617721
4-[[1-(3-Amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
CID 123170390
1-[[1-(3-Amino-5-fluoro-1-hexylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
CID 123656788
(1-Tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone
CID 129149462
1-[[1-(3-Amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
CID 130280123
1-[4-[4-(4-Tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 135299487
(3S)-1-[(2S)-1-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one
CID 138685871
(3S)-1-[1-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one
CID 138685873
[4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane
CID 144962761
2,2-Difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one
CID 159299521
1-[4-[(1-Butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 166113225

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane?
The IUPAC name of 1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane (CID 176558181) is 1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane.
What is the SMILES notation for 1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane?
The canonical SMILES for 1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane is CC.CC(=O)N1CCN(C2CCN(CC3CCN(CC(C)C)CC3(F)F)CC2)CC1.
What is the InChIKey of 1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane?
The InChIKey is HTPYESBQINMLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38F2N4O.C2H6/c1-17(2)14-25-7-4-19(21(22,23)16-25)15-24-8-5-20(6-9-24)27-12-10-26(11-13-27)18(3)28;1-2/h17,19-20H,4-16H2,1-3H3;1-2H3.
What are the key properties of 1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane?
1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane has a molecular weight of 430.63 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane is sourced from PubChem (CID 176558181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).