8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione

C19H32N6O2 — CID 174454801

IUPAC8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione
SMILESCN1C(=O)C2N(C3CCCCC3)C(N3CCCC(N)C3)=NC2(C)N(C)C1=O
InChIInChI=1S/C19H32N6O2/c1-19-15(16(26)22(2)18(27)23(19)3)25(14-9-5-4-6-10-14)17(21-19)24-11-7-8-13(20)12-24/h13-15H,4-12,20H2,1-3H3
InChIKeyPAYYIVXTJAVWSX-UHFFFAOYSA-N
MW376.51 g/mol
LogP1.02
Rot. Bonds1

About 8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione

8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione (PubChem CID 174454801) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione.

Molecular Properties

Compound Name8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione
PubChem CID174454801
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione
SMILESCN1C(=O)C2N(C3CCCCC3)C(N3CCCC(N)C3)=NC2(C)N(C)C1=O
InChIInChI=1S/C19H32N6O2/c1-19-15(16(26)22(2)18(27)23(19)3)25(14-9-5-4-6-10-14)17(21-19)24-11-7-8-13(20)12-24/h13-15H,4-12,20H2,1-3H3
InChIKeyPAYYIVXTJAVWSX-UHFFFAOYSA-N
XLogP1.02
TPSA85.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione?
The IUPAC name of 8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione (CID 174454801) is 8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione.
What is the SMILES notation for 8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione?
The canonical SMILES for 8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione is CN1C(=O)C2N(C3CCCCC3)C(N3CCCC(N)C3)=NC2(C)N(C)C1=O.
What is the InChIKey of 8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione?
The InChIKey is PAYYIVXTJAVWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-19-15(16(26)22(2)18(27)23(19)3)25(14-9-5-4-6-10-14)17(21-19)24-11-7-8-13(20)12-24/h13-15H,4-12,20H2,1-3H3.
What are the key properties of 8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione?
8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione has a molecular weight of 376.51 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopiperidin-1-yl)-7-cyclohexyl-1,3,4-trimethyl-5H-purine-2,6-dione is sourced from PubChem (CID 174454801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).