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

C22H33F3N4O3 — CID 137371411

IUPACN-[[4-[4-(2-methoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)N(CC1(N2CCN(CCOC)CC2)CCOCC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H33F3N4O3/c1-3-20(30)29(19-6-4-5-18(26-19)22(23,24)25)17-21(7-14-32-15-8-21)28-11-9-27(10-12-28)13-16-31-2/h4-6H,3,7-17H2,1-2H3
InChIKeyIPKSCZZHCDJCLO-UHFFFAOYSA-N
MW458.53 g/mol
LogP2.66
Rot. Bonds8

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

N-[[4-[4-(2-methoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 137371411) has the molecular formula C22H33F3N4O3 and a molecular weight of 458.53 g/mol. Its IUPAC name is N-[[4-[4-(2-methoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[[4-[4-(2-methoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID137371411
Molecular FormulaC22H33F3N4O3
Molecular Weight458.53 g/mol
Exact Mass458.25
IUPAC NameN-[[4-[4-(2-methoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)N(CC1(N2CCN(CCOC)CC2)CCOCC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H33F3N4O3/c1-3-20(30)29(19-6-4-5-18(26-19)22(23,24)25)17-21(7-14-32-15-8-21)28-11-9-27(10-12-28)13-16-31-2/h4-6H,3,7-17H2,1-2H3
InChIKeyIPKSCZZHCDJCLO-UHFFFAOYSA-N
XLogP2.66
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(2-methoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[[4-[4-(2-methoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 137371411) is N-[[4-[4-(2-methoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[[4-[4-(2-methoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[[4-[4-(2-methoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is CCC(=O)N(CC1(N2CCN(CCOC)CC2)CCOCC1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[[4-[4-(2-methoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is IPKSCZZHCDJCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F3N4O3/c1-3-20(30)29(19-6-4-5-18(26-19)22(23,24)25)17-21(7-14-32-15-8-21)28-11-9-27(10-12-28)13-16-31-2/h4-6H,3,7-17H2,1-2H3.
What are the key properties of N-[[4-[4-(2-methoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
N-[[4-[4-(2-methoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 458.53 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(2-methoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 137371411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).