7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C22H23F3N4O2 — CID 110264735

IUPAC7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(C(F)(F)F)cc(C3CCCN(Cc4ccccc4)C3)nc2n(C)c1=O
InChIInChI=1S/C22H23F3N4O2/c1-27-19-18(20(30)28(2)21(27)31)16(22(23,24)25)11-17(26-19)15-9-6-10-29(13-15)12-14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10,12-13H2,1-2H3
InChIKeyBCZLDESYCATRCT-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.03
Rot. Bonds3

About 7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 110264735) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID110264735
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(C(F)(F)F)cc(C3CCCN(Cc4ccccc4)C3)nc2n(C)c1=O
InChIInChI=1S/C22H23F3N4O2/c1-27-19-18(20(30)28(2)21(27)31)16(22(23,24)25)11-17(26-19)15-9-6-10-29(13-15)12-14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10,12-13H2,1-2H3
InChIKeyBCZLDESYCATRCT-UHFFFAOYSA-N
XLogP3.03
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

7-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 95834518
1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264730
1-benzyl-3-methyl-7-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 92630867
2-methyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782802
1,3-dimethyl-7-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264778
1,3-dimethyl-7-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 92631147
7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 92631142
1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 92631662
7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
CID 92630970
8-[(3-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 154797194
1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 3049036
5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 51584804

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 110264735) is 7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(C(F)(F)F)cc(C3CCCN(Cc4ccccc4)C3)nc2n(C)c1=O.
What is the InChIKey of 7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BCZLDESYCATRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-27-19-18(20(30)28(2)21(27)31)16(22(23,24)25)11-17(26-19)15-9-6-10-29(13-15)12-14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10,12-13H2,1-2H3.
What are the key properties of 7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 432.45 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 110264735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).