1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one

C16H18F6N4O — CID 14554115

IUPAC1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2cc(C(F)(F)F)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H18F6N4O/c17-15(18,19)11-8-12(24-14(23-11)16(20,21)22)25-6-3-10(4-7-25)9-26-5-1-2-13(26)27/h8,10H,1-7,9H2
InChIKeySKHXZTDMPYXSKU-UHFFFAOYSA-N
MW396.34 g/mol
LogP3.35
Rot. Bonds3

About 1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 14554115) has the molecular formula C16H18F6N4O and a molecular weight of 396.34 g/mol. Its IUPAC name is 1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID14554115
Molecular FormulaC16H18F6N4O
Molecular Weight396.34 g/mol
Exact Mass396.14
IUPAC Name1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2cc(C(F)(F)F)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H18F6N4O/c17-15(18,19)11-8-12(24-14(23-11)16(20,21)22)25-6-3-10(4-7-25)9-26-5-1-2-13(26)27/h8,10H,1-7,9H2
InChIKeySKHXZTDMPYXSKU-UHFFFAOYSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 14554115) is 1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CCN(c2cc(C(F)(F)F)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is SKHXZTDMPYXSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F6N4O/c17-15(18,19)11-8-12(24-14(23-11)16(20,21)22)25-6-3-10(4-7-25)9-26-5-1-2-13(26)27/h8,10H,1-7,9H2.
What are the key properties of 1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 396.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 14554115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).