N-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

C24H37F3N4O3 — CID 126509963

IUPACN-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCCOCCN1CCN(C2(CN(C(=O)CC)c3cccc(C(F)(F)F)n3)CCOCC2)CC1
InChIInChI=1S/C24H37F3N4O3/c1-3-15-33-18-14-29-10-12-30(13-11-29)23(8-16-34-17-9-23)19-31(22(32)4-2)21-7-5-6-20(28-21)24(25,26)27/h5-7H,3-4,8-19H2,1-2H3
InChIKeyOUCUASFMBXPART-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.44
Rot. Bonds10

About N-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

N-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 126509963) has the molecular formula C24H37F3N4O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID126509963
Molecular FormulaC24H37F3N4O3
Molecular Weight486.58 g/mol
Exact Mass486.28
IUPAC NameN-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCCOCCN1CCN(C2(CN(C(=O)CC)c3cccc(C(F)(F)F)n3)CCOCC2)CC1
InChIInChI=1S/C24H37F3N4O3/c1-3-15-33-18-14-29-10-12-30(13-11-29)23(8-16-34-17-9-23)19-31(22(32)4-2)21-7-5-6-20(28-21)24(25,26)27/h5-7H,3-4,8-19H2,1-2H3
InChIKeyOUCUASFMBXPART-UHFFFAOYSA-N
XLogP3.44
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 126509963) is N-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is CCCOCCN1CCN(C2(CN(C(=O)CC)c3cccc(C(F)(F)F)n3)CCOCC2)CC1.
What is the InChIKey of N-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is OUCUASFMBXPART-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F3N4O3/c1-3-15-33-18-14-29-10-12-30(13-11-29)23(8-16-34-17-9-23)19-31(22(32)4-2)21-7-5-6-20(28-21)24(25,26)27/h5-7H,3-4,8-19H2,1-2H3.
What are the key properties of N-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
N-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 486.58 g/mol, XLogP of 3.44, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(2-propoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 126509963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).