2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide

C14H18ClF3N4O — CID 1478431

IUPAC2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C14H18ClF3N4O/c1-13(2,12(19)23)22-5-3-21(4-6-22)11-10(15)7-9(8-20-11)14(16,17)18/h7-8H,3-6H2,1-2H3,(H2,19,23)
InChIKeyMPWVXJLTIZUBTR-UHFFFAOYSA-N
MW350.77 g/mol
LogP2.14
Rot. Bonds3

About 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide

2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide (PubChem CID 1478431) has the molecular formula C14H18ClF3N4O and a molecular weight of 350.77 g/mol. Its IUPAC name is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide
PubChem CID1478431
Molecular FormulaC14H18ClF3N4O
Molecular Weight350.77 g/mol
Exact Mass350.11
IUPAC Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C14H18ClF3N4O/c1-13(2,12(19)23)22-5-3-21(4-6-22)11-10(15)7-9(8-20-11)14(16,17)18/h7-8H,3-6H2,1-2H3,(H2,19,23)
InChIKeyMPWVXJLTIZUBTR-UHFFFAOYSA-N
XLogP2.14
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide (CID 1478431) is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide is CC(C)(C(N)=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide?
The InChIKey is MPWVXJLTIZUBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N4O/c1-13(2,12(19)23)22-5-3-21(4-6-22)11-10(15)7-9(8-20-11)14(16,17)18/h7-8H,3-6H2,1-2H3,(H2,19,23).
What are the key properties of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide?
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide has a molecular weight of 350.77 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 1478431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).