5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate

C15H22N4O2 — CID 67395254

IUPAC5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate
SMILESCCN1CCC(C(=O)Oc2ncnc3c2CNCC3)CC1
InChIInChI=1S/C15H22N4O2/c1-2-19-7-4-11(5-8-19)15(20)21-14-12-9-16-6-3-13(12)17-10-18-14/h10-11,16H,2-9H2,1H3
InChIKeyHADNQLVVECYNFR-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.76
Rot. Bonds3

About 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate

5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate (PubChem CID 67395254) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate
PubChem CID67395254
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate
SMILESCCN1CCC(C(=O)Oc2ncnc3c2CNCC3)CC1
InChIInChI=1S/C15H22N4O2/c1-2-19-7-4-11(5-8-19)15(20)21-14-12-9-16-6-3-13(12)17-10-18-14/h10-11,16H,2-9H2,1H3
InChIKeyHADNQLVVECYNFR-UHFFFAOYSA-N
XLogP0.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate?
The IUPAC name of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate (CID 67395254) is 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate.
What is the SMILES notation for 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate?
The canonical SMILES for 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate is CCN1CCC(C(=O)Oc2ncnc3c2CNCC3)CC1.
What is the InChIKey of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate?
The InChIKey is HADNQLVVECYNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-19-7-4-11(5-8-19)15(20)21-14-12-9-16-6-3-13(12)17-10-18-14/h10-11,16H,2-9H2,1H3.
What are the key properties of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate?
5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate is sourced from PubChem (CID 67395254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).