3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C16H21F3N4O2 — CID 129344976

IUPAC3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN([C@@H]1CCCN(CC(F)(F)F)C1=O)C2
InChIInChI=1S/C16H21F3N4O2/c1-2-21-10-20-12-8-22(7-5-11(12)14(21)24)13-4-3-6-23(15(13)25)9-16(17,18)19/h10,13H,2-9H2,1H3/t13-/m1/s1
InChIKeyNQNZYTNJOPNWOB-CYBMUJFWSA-N
MW358.36 g/mol
LogP1.17
Rot. Bonds3

About 3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 129344976) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID129344976
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC Name3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN([C@@H]1CCCN(CC(F)(F)F)C1=O)C2
InChIInChI=1S/C16H21F3N4O2/c1-2-21-10-20-12-8-22(7-5-11(12)14(21)24)13-4-3-6-23(15(13)25)9-16(17,18)19/h10,13H,2-9H2,1H3/t13-/m1/s1
InChIKeyNQNZYTNJOPNWOB-CYBMUJFWSA-N
XLogP1.17
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

3-ethyl-7-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 126804739
3-ethyl-7-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 129344977
7-[2-[4-(Trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 167917439
2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide
CID 128970020
3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride
CID 128990766
3-methyl-7-(1-propan-2-ylpiperidine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128990767
7-[2-(dimethylamino)pentanoyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999652
7-(1-ethylpiperidine-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999805
3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999817
7-[(2S)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 129330098
7-[(2R)-1-ethylpiperidine-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 129330099
3-methyl-7-[(2S)-1-propan-2-ylpiperidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 129337469

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 129344976) is 3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CCn1cnc2c(c1=O)CCN([C@@H]1CCCN(CC(F)(F)F)C1=O)C2.
What is the InChIKey of 3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is NQNZYTNJOPNWOB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c1-2-21-10-20-12-8-22(7-5-11(12)14(21)24)13-4-3-6-23(15(13)25)9-16(17,18)19/h10,13H,2-9H2,1H3/t13-/m1/s1.
What are the key properties of 3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 358.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 129344976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).