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

C19H27F3N4O2 — CID 126539128

IUPACN-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)N(CC1(N2CCNCC2)CCOCC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H27F3N4O2/c1-2-17(27)26(16-5-3-4-15(24-16)19(20,21)22)14-18(6-12-28-13-7-18)25-10-8-23-9-11-25/h3-5,23H,2,6-14H2,1H3
InChIKeyRQLWHDZQVHWZQP-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.30
Rot. Bonds5

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

N-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 126539128) has the molecular formula C19H27F3N4O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID126539128
Molecular FormulaC19H27F3N4O2
Molecular Weight400.45 g/mol
Exact Mass400.21
IUPAC NameN-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)N(CC1(N2CCNCC2)CCOCC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H27F3N4O2/c1-2-17(27)26(16-5-3-4-15(24-16)19(20,21)22)14-18(6-12-28-13-7-18)25-10-8-23-9-11-25/h3-5,23H,2,6-14H2,1H3
InChIKeyRQLWHDZQVHWZQP-UHFFFAOYSA-N
XLogP2.30
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 126539128) is N-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is CCC(=O)N(CC1(N2CCNCC2)CCOCC1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is RQLWHDZQVHWZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O2/c1-2-17(27)26(16-5-3-4-15(24-16)19(20,21)22)14-18(6-12-28-13-7-18)25-10-8-23-9-11-25/h3-5,23H,2,6-14H2,1H3.
What are the key properties of N-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
N-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 400.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperazin-1-yloxan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 126539128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).