2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one

C20H27F3N4O — CID 126800488

IUPAC2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1CCNC(C)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C20H27F3N4O/c1-14(16-7-11-26(12-8-16)13-20(21,22)23)24-9-6-17-15(2)25-18-5-3-4-10-27(18)19(17)28/h3-5,10,14,16,24H,6-9,11-13H2,1-2H3
InChIKeyFCVHQMQOYCUXBI-UHFFFAOYSA-N
MW396.46 g/mol
LogP2.80
Rot. Bonds6

About 2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one

2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 126800488) has the molecular formula C20H27F3N4O and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID126800488
Molecular FormulaC20H27F3N4O
Molecular Weight396.46 g/mol
Exact Mass396.21
IUPAC Name2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1CCNC(C)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C20H27F3N4O/c1-14(16-7-11-26(12-8-16)13-20(21,22)23)24-9-6-17-15(2)25-18-5-3-4-10-27(18)19(17)28/h3-5,10,14,16,24H,6-9,11-13H2,1-2H3
InChIKeyFCVHQMQOYCUXBI-UHFFFAOYSA-N
XLogP2.80
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one (CID 126800488) is 2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccccn2c(=O)c1CCNC(C)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FCVHQMQOYCUXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N4O/c1-14(16-7-11-26(12-8-16)13-20(21,22)23)24-9-6-17-15(2)25-18-5-3-4-10-27(18)19(17)28/h3-5,10,14,16,24H,6-9,11-13H2,1-2H3.
What are the key properties of 2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one?
2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 396.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 126800488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).