N-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide

C22H38F3N3O — CID 45227748

IUPACN-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide
SMILESO=C(CCC(F)(F)F)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C22H38F3N3O/c23-22(24,25)11-10-21(29)28(16-15-26-12-4-1-5-13-26)18-19-7-6-14-27(17-19)20-8-2-3-9-20/h19-20H,1-18H2
InChIKeyKCLVBRUYZNKTBT-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.30
Rot. Bonds8

About N-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide

N-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide (PubChem CID 45227748) has the molecular formula C22H38F3N3O and a molecular weight of 417.56 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide
PubChem CID45227748
Molecular FormulaC22H38F3N3O
Molecular Weight417.56 g/mol
Exact Mass417.30
IUPAC NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide
SMILESO=C(CCC(F)(F)F)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C22H38F3N3O/c23-22(24,25)11-10-21(29)28(16-15-26-12-4-1-5-13-26)18-19-7-6-14-27(17-19)20-8-2-3-9-20/h19-20H,1-18H2
InChIKeyKCLVBRUYZNKTBT-UHFFFAOYSA-N
XLogP4.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide with MolForge

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Related Compounds

9-(Cyclopentylacetyl)-1-methyl-4-(3,3,3-trifluoropropyl)-1,4,9-triazaspiro[5.5]undecane
CID 56756729
[1-(2,2-Difluoroethyl)piperidin-3-yl]-(2,4,5-trimethylpiperazin-1-yl)methanone
CID 132318448
(1-Tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
CID 118531418
2,2-Dimethyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 126750478
Ethane;2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 145287073
1-[4-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 172114702
1-[4-Fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 172114728
1-[4-[3,3-Difluoro-1-(3-methylbutyl)piperidin-4-yl]piperazin-1-yl]propan-1-one;ethane
CID 176558284
1-[4-[3,3-Difluoro-4-(3-propylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 176558686
1-[4-[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-2-methylbutan-1-one
CID 176559167
1-[3,3-Difluoro-4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 176559603
1-[4-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]propan-1-one;ethane
CID 176559628

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide (CID 45227748) is N-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide is O=C(CCC(F)(F)F)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide?
The InChIKey is KCLVBRUYZNKTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38F3N3O/c23-22(24,25)11-10-21(29)28(16-15-26-12-4-1-5-13-26)18-19-7-6-14-27(17-19)20-8-2-3-9-20/h19-20H,1-18H2.
What are the key properties of N-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide?
N-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide has a molecular weight of 417.56 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-3-yl)methyl]-4,4,4-trifluoro-N-(2-piperidin-1-ylethyl)butanamide is sourced from PubChem (CID 45227748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).