N-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide

C21H29F3N2O2 — CID 45221652

IUPACN-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(Cc2ccccc2C(F)(F)F)CC1)NCC1CCCO1
InChIInChI=1S/C21H29F3N2O2/c22-21(23,24)19-6-2-1-4-17(19)15-26-11-9-16(10-12-26)7-8-20(27)25-14-18-5-3-13-28-18/h1-2,4,6,16,18H,3,5,7-15H2,(H,25,27)
InChIKeyDOWOGONVGODDBA-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.99
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide

N-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (PubChem CID 45221652) has the molecular formula C21H29F3N2O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
PubChem CID45221652
Molecular FormulaC21H29F3N2O2
Molecular Weight398.47 g/mol
Exact Mass398.22
IUPAC NameN-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(Cc2ccccc2C(F)(F)F)CC1)NCC1CCCO1
InChIInChI=1S/C21H29F3N2O2/c22-21(23,24)19-6-2-1-4-17(19)15-26-11-9-16(10-12-26)7-8-20(27)25-14-18-5-3-13-28-18/h1-2,4,6,16,18H,3,5,7-15H2,(H,25,27)
InChIKeyDOWOGONVGODDBA-UHFFFAOYSA-N
XLogP3.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-{(2S)-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 17578104
(3S)-N-[(2R)-1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 17581880
1'-(2-methylbenzyl)-N-(tetrahydro-2-furanylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 24794058
N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)-2-(trifluoromethyl)benzamide
CID 16895535
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 43020166
N-{[1-(2-fluorobenzyl)-4-piperidinyl]methyl}-2-(4-fluorophenyl)-N-(tetrahydro-2-furanylmethyl)acetamide
CID 45169359
3-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinyl]-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45215439
N-{[1-(2-fluorobenzyl)-4-piperidinyl]methyl}-6-hydroxy-N-(tetrahydro-2-furanylmethyl)nicotinamide
CID 45233329
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 45847116
N-{[1-(2-fluorobenzyl)-4-piperidyl]methyl}-2-tetrahydro-2H-pyran-4-ylacetamide
CID 91907753
N-({1-[(3-Fluorophenyl)methyl]piperidin-4-YL}methyl)-2-(oxan-4-YL)acetamide
CID 91907755
N-({1-[(2-Fluorophenyl)methyl]piperidin-4-YL}methyl)-2-(oxan-4-YL)propanamide
CID 91907766

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (CID 45221652) is N-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is O=C(CCC1CCN(Cc2ccccc2C(F)(F)F)CC1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The InChIKey is DOWOGONVGODDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3N2O2/c22-21(23,24)19-6-2-1-4-17(19)15-26-11-9-16(10-12-26)7-8-20(27)25-14-18-5-3-13-28-18/h1-2,4,6,16,18H,3,5,7-15H2,(H,25,27).
What are the key properties of N-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
N-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide has a molecular weight of 398.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 45221652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).