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

C22H33F3N4O2 — CID 126509802

IUPACN-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCCN1CCN(C2(CN(C(=O)CC)c3cccc(C(F)(F)F)n3)CCOCC2)CC1
InChIInChI=1S/C22H33F3N4O2/c1-3-10-27-11-13-28(14-12-27)21(8-15-31-16-9-21)17-29(20(30)4-2)19-7-5-6-18(26-19)22(23,24)25/h5-7H,3-4,8-17H2,1-2H3
InChIKeyNWJSAJQGUZTVMZ-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.42
Rot. Bonds7

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

N-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 126509802) has the molecular formula C22H33F3N4O2 and a molecular weight of 442.53 g/mol. Its IUPAC name is N-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID126509802
Molecular FormulaC22H33F3N4O2
Molecular Weight442.53 g/mol
Exact Mass442.26
IUPAC NameN-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCCN1CCN(C2(CN(C(=O)CC)c3cccc(C(F)(F)F)n3)CCOCC2)CC1
InChIInChI=1S/C22H33F3N4O2/c1-3-10-27-11-13-28(14-12-27)21(8-15-31-16-9-21)17-29(20(30)4-2)19-7-5-6-18(26-19)22(23,24)25/h5-7H,3-4,8-17H2,1-2H3
InChIKeyNWJSAJQGUZTVMZ-UHFFFAOYSA-N
XLogP3.42
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 126509802) is N-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is CCCN1CCN(C2(CN(C(=O)CC)c3cccc(C(F)(F)F)n3)CCOCC2)CC1.
What is the InChIKey of N-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is NWJSAJQGUZTVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F3N4O2/c1-3-10-27-11-13-28(14-12-27)21(8-15-31-16-9-21)17-29(20(30)4-2)19-7-5-6-18(26-19)22(23,24)25/h5-7H,3-4,8-17H2,1-2H3.
What are the key properties of N-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
N-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 442.53 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-propylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 126509802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).