1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane

C22H41F2N3O — CID 176558387

IUPAC1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane
SMILESCC.CCCN1CCC(N2CCC(C3CCN(C(C)=O)CC3)CC2)C(F)(F)C1
InChIInChI=1S/C20H35F2N3O.C2H6/c1-3-9-23-10-8-19(20(21,22)15-23)25-13-6-18(7-14-25)17-4-11-24(12-5-17)16(2)26;1-2/h17-19H,3-15H2,1-2H3;1-2H3
InChIKeyIYPXYLCTOSLIRI-UHFFFAOYSA-N
MW401.59 g/mol
LogP4.10
Rot. Bonds4

About 1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane

1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane (PubChem CID 176558387) has the molecular formula C22H41F2N3O and a molecular weight of 401.59 g/mol. Its IUPAC name is 1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane
PubChem CID176558387
Molecular FormulaC22H41F2N3O
Molecular Weight401.59 g/mol
Exact Mass401.32
IUPAC Name1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane
SMILESCC.CCCN1CCC(N2CCC(C3CCN(C(C)=O)CC3)CC2)C(F)(F)C1
InChIInChI=1S/C20H35F2N3O.C2H6/c1-3-9-23-10-8-19(20(21,22)15-23)25-13-6-18(7-14-25)17-4-11-24(12-5-17)16(2)26;1-2/h17-19H,3-15H2,1-2H3;1-2H3
InChIKeyIYPXYLCTOSLIRI-UHFFFAOYSA-N
XLogP4.10
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.59
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane with MolForge

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Related Compounds

N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 91511901
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
1-[4-[3-(Trifluoromethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 122269555
2,2-Dimethyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 126750478
[4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane
CID 144962761
Ethane;2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 145287073
1-[4-[1-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane
CID 176558181
3,3-Difluoro-1-propylpiperidine;ethane;1-(4-piperidin-4-ylpiperidin-1-yl)propan-1-one
CID 176558249
1-[4-(5,5-Difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one
CID 176558295
1-[9-[(3R,4S)-3-fluoro-1-(2-methylbutyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methylpropan-1-one
CID 176558306
Ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 176558312

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane?
The IUPAC name of 1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane (CID 176558387) is 1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane.
What is the SMILES notation for 1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane?
The canonical SMILES for 1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane is CC.CCCN1CCC(N2CCC(C3CCN(C(C)=O)CC3)CC2)C(F)(F)C1.
What is the InChIKey of 1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane?
The InChIKey is IYPXYLCTOSLIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35F2N3O.C2H6/c1-3-9-23-10-8-19(20(21,22)15-23)25-13-6-18(7-14-25)17-4-11-24(12-5-17)16(2)26;1-2/h17-19H,3-15H2,1-2H3;1-2H3.
What are the key properties of 1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane?
1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane has a molecular weight of 401.59 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-1-yl]ethanone;ethane is sourced from PubChem (CID 176558387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).