tert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

C17H26N4O3 — CID 176924641

IUPACtert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2ncnc(OC3CCNCC3)c2C1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)24-16(22)21-9-6-14-13(10-21)15(20-11-19-14)23-12-4-7-18-8-5-12/h11-12,18H,4-10H2,1-3H3
InChIKeyPJDZGXJVBQKRMT-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.90
Rot. Bonds2

About tert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

tert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate (PubChem CID 176924641) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
PubChem CID176924641
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2ncnc(OC3CCNCC3)c2C1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)24-16(22)21-9-6-14-13(10-21)15(20-11-19-14)23-12-4-7-18-8-5-12/h11-12,18H,4-10H2,1-3H3
InChIKeyPJDZGXJVBQKRMT-UHFFFAOYSA-N
XLogP1.90
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
The IUPAC name of tert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate (CID 176924641) is tert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for tert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for tert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate is CC(C)(C)OC(=O)N1CCc2ncnc(OC3CCNCC3)c2C1.
What is the InChIKey of tert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
The InChIKey is PJDZGXJVBQKRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-17(2,3)24-16(22)21-9-6-14-13(10-21)15(20-11-19-14)23-12-4-7-18-8-5-12/h11-12,18H,4-10H2,1-3H3.
What are the key properties of tert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
tert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-piperidin-4-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 176924641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).