N-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide

C20H27F3N2O2 — CID 91916246

IUPACN-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(Cc2cc(F)c(F)cc2F)CC1
InChIInChI=1S/C20H27F3N2O2/c1-2-20(26)25(16-5-9-27-10-6-16)15-3-7-24(8-4-15)13-14-11-18(22)19(23)12-17(14)21/h11-12,15-16H,2-10,13H2,1H3
InChIKeyMIVSFVOQFXZGQH-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.49
Rot. Bonds5

About N-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide

N-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 91916246) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide
PubChem CID91916246
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC NameN-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(Cc2cc(F)c(F)cc2F)CC1
InChIInChI=1S/C20H27F3N2O2/c1-2-20(26)25(16-5-9-27-10-6-16)15-3-7-24(8-4-15)13-14-11-18(22)19(23)12-17(14)21/h11-12,15-16H,2-10,13H2,1H3
InChIKeyMIVSFVOQFXZGQH-UHFFFAOYSA-N
XLogP3.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
2-[1-(4-fluorobenzyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 16190619
N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851890
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851896
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851918
Ethyl 4-[4-(3,4-difluorobenzyl)-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate
CID 16192269
1-[4-[Cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2,2-dimethylbutan-1-one
CID 91919185
N-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 168287828
US10927128, Example 69
CID 135374765
US10927128, Example 85
CID 135374927

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide (CID 91916246) is N-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide is CCC(=O)N(C1CCOCC1)C1CCN(Cc2cc(F)c(F)cc2F)CC1.
What is the InChIKey of N-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is MIVSFVOQFXZGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c1-2-20(26)25(16-5-9-27-10-6-16)15-3-7-24(8-4-15)13-14-11-18(22)19(23)12-17(14)21/h11-12,15-16H,2-10,13H2,1H3.
What are the key properties of N-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide?
N-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 384.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-[1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 91916246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).