N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide

C14H20F3N5O — CID 67953872

IUPACN-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide
SMILESCCC(=O)NCCN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H20F3N5O/c1-2-12(23)18-5-6-21-7-9-22(10-8-21)13-19-4-3-11(20-13)14(15,16)17/h3-4H,2,5-10H2,1H3,(H,18,23)
InChIKeyXREOGCFISMCNRU-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.14
Rot. Bonds5

About N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide

N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide (PubChem CID 67953872) has the molecular formula C14H20F3N5O and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide
PubChem CID67953872
Molecular FormulaC14H20F3N5O
Molecular Weight331.34 g/mol
Exact Mass331.16
IUPAC NameN-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide
SMILESCCC(=O)NCCN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H20F3N5O/c1-2-12(23)18-5-6-21-7-9-22(10-8-21)13-19-4-3-11(20-13)14(15,16)17/h3-4H,2,5-10H2,1H3,(H,18,23)
InChIKeyXREOGCFISMCNRU-UHFFFAOYSA-N
XLogP1.14
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide?
The IUPAC name of N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide (CID 67953872) is N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide is CCC(=O)NCCN1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide?
The InChIKey is XREOGCFISMCNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O/c1-2-12(23)18-5-6-21-7-9-22(10-8-21)13-19-4-3-11(20-13)14(15,16)17/h3-4H,2,5-10H2,1H3,(H,18,23).
What are the key properties of N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide?
N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide has a molecular weight of 331.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 67953872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).