cyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

C18H26N4O — CID 46126810

IUPACcyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCc1nc2c(c(N3CCCCC3)n1)CN(C(=O)C1CCC1)CC2
InChIInChI=1S/C18H26N4O/c1-13-19-16-8-11-22(18(23)14-6-5-7-14)12-15(16)17(20-13)21-9-3-2-4-10-21/h14H,2-12H2,1H3
InChIKeyREOWEJDZQQIKKO-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.46
Rot. Bonds2

About cyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

cyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 46126810) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is cyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID46126810
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Namecyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCc1nc2c(c(N3CCCCC3)n1)CN(C(=O)C1CCC1)CC2
InChIInChI=1S/C18H26N4O/c1-13-19-16-8-11-22(18(23)14-6-5-7-14)12-15(16)17(20-13)21-9-3-2-4-10-21/h14H,2-12H2,1H3
InChIKeyREOWEJDZQQIKKO-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of cyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 46126810) is cyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for cyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for cyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is Cc1nc2c(c(N3CCCCC3)n1)CN(C(=O)C1CCC1)CC2.
What is the InChIKey of cyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is REOWEJDZQQIKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13-19-16-8-11-22(18(23)14-6-5-7-14)12-15(16)17(20-13)21-9-3-2-4-10-21/h14H,2-12H2,1H3.
What are the key properties of cyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
cyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 314.43 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 46126810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).