5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C18H19IN4O2 — CID 135637697

IUPAC5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=C1CC(c2ccc(I)cc2)c2c(nc(N3CCCCC3)[nH]c2=O)N1
InChIInChI=1S/C18H19IN4O2/c19-12-6-4-11(5-7-12)13-10-14(24)20-16-15(13)17(25)22-18(21-16)23-8-2-1-3-9-23/h4-7,13H,1-3,8-10H2,(H2,20,21,22,24,25)
InChIKeyVKTKFUHXOWBNNZ-UHFFFAOYSA-N
MW450.28 g/mol
LogP2.84
Rot. Bonds2

About 5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135637697) has the molecular formula C18H19IN4O2 and a molecular weight of 450.28 g/mol. Its IUPAC name is 5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135637697
Molecular FormulaC18H19IN4O2
Molecular Weight450.28 g/mol
Exact Mass450.06
IUPAC Name5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=C1CC(c2ccc(I)cc2)c2c(nc(N3CCCCC3)[nH]c2=O)N1
InChIInChI=1S/C18H19IN4O2/c19-12-6-4-11(5-7-12)13-10-14(24)20-16-15(13)17(25)22-18(21-16)23-8-2-1-3-9-23/h4-7,13H,1-3,8-10H2,(H2,20,21,22,24,25)
InChIKeyVKTKFUHXOWBNNZ-UHFFFAOYSA-N
XLogP2.84
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-1-yl-5-pyridin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637680
(5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222416
5-(2-chlorophenyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637843
(5R)-5-(2-chloro-6-fluorophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222470
(5S)-5-(2-methoxyphenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222397
4-[2-(4-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-5-yl]benzonitrile
CID 135637653
(5S)-5-(2-nitrophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222389
2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637717
2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637709
(5R)-2-amino-5-(4-chlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135622784
(5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222356
(5R)-N-(2,5-dichlorophenyl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135886007

Frequently Asked Questions

What is the IUPAC name of 5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135637697) is 5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is O=C1CC(c2ccc(I)cc2)c2c(nc(N3CCCCC3)[nH]c2=O)N1.
What is the InChIKey of 5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is VKTKFUHXOWBNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN4O2/c19-12-6-4-11(5-7-12)13-10-14(24)20-16-15(13)17(25)22-18(21-16)23-8-2-1-3-9-23/h4-7,13H,1-3,8-10H2,(H2,20,21,22,24,25).
What are the key properties of 5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 450.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135637697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).