tert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

C18H28N4O3 — CID 176923975

IUPACtert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
SMILESCN1CCC(Oc2ncnc3c2CN(C(=O)OC(C)(C)C)CC3)CC1
InChIInChI=1S/C18H28N4O3/c1-18(2,3)25-17(23)22-10-7-15-14(11-22)16(20-12-19-15)24-13-5-8-21(4)9-6-13/h12-13H,5-11H2,1-4H3
InChIKeyYIOREQIBUPQZHT-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.24
Rot. Bonds2

About tert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

tert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate (PubChem CID 176923975) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is tert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
PubChem CID176923975
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nametert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
SMILESCN1CCC(Oc2ncnc3c2CN(C(=O)OC(C)(C)C)CC3)CC1
InChIInChI=1S/C18H28N4O3/c1-18(2,3)25-17(23)22-10-7-15-14(11-22)16(20-12-19-15)24-13-5-8-21(4)9-6-13/h12-13H,5-11H2,1-4H3
InChIKeyYIOREQIBUPQZHT-UHFFFAOYSA-N
XLogP2.24
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
The IUPAC name of tert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate (CID 176923975) is tert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for tert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate is CN1CCC(Oc2ncnc3c2CN(C(=O)OC(C)(C)C)CC3)CC1.
What is the InChIKey of tert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
The InChIKey is YIOREQIBUPQZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-18(2,3)25-17(23)22-10-7-15-14(11-22)16(20-12-19-15)24-13-5-8-21(4)9-6-13/h12-13H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
tert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methylpiperidin-4-yl)oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 176923975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).