7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C15H19F3N4O2 — CID 167917439

IUPAC7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(CN1CCC(C(F)(F)F)CC1)N1CCc2c(nc[nH]c2=O)C1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)10-1-4-21(5-2-10)8-13(23)22-6-3-11-12(7-22)19-9-20-14(11)24/h9-10H,1-8H2,(H,19,20,24)
InChIKeyHQLBLFMPSRITDE-UHFFFAOYSA-N
MW344.34 g/mol
LogP0.93
Rot. Bonds2

About 7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 167917439) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID167917439
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(CN1CCC(C(F)(F)F)CC1)N1CCc2c(nc[nH]c2=O)C1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)10-1-4-21(5-2-10)8-13(23)22-6-3-11-12(7-22)19-9-20-14(11)24/h9-10H,1-8H2,(H,19,20,24)
InChIKeyHQLBLFMPSRITDE-UHFFFAOYSA-N
XLogP0.93
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 167917439) is 7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(CN1CCC(C(F)(F)F)CC1)N1CCc2c(nc[nH]c2=O)C1.
What is the InChIKey of 7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HQLBLFMPSRITDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c16-15(17,18)10-1-4-21(5-2-10)8-13(23)22-6-3-11-12(7-22)19-9-20-14(11)24/h9-10H,1-8H2,(H,19,20,24).
What are the key properties of 7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 344.34 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 167917439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).