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

C16H26N6O2 — CID 174454813

IUPAC8-(3-aminopiperidin-1-yl)-7-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione
SMILESCN1C(=O)C2N(C3CC3)C(N3CCCC(N)C3)=NC2(C)N(C)C1=O
InChIInChI=1S/C16H26N6O2/c1-16-12(13(23)19(2)15(24)20(16)3)22(11-6-7-11)14(18-16)21-8-4-5-10(17)9-21/h10-12H,4-9,17H2,1-3H3
InChIKeyBVHOEDHPUJGXEA-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.15
Rot. Bonds1

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

8-(3-aminopiperidin-1-yl)-7-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione (PubChem CID 174454813) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 8-(3-aminopiperidin-1-yl)-7-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione.

Molecular Properties

Compound Name8-(3-aminopiperidin-1-yl)-7-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione
PubChem CID174454813
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name8-(3-aminopiperidin-1-yl)-7-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione
SMILESCN1C(=O)C2N(C3CC3)C(N3CCCC(N)C3)=NC2(C)N(C)C1=O
InChIInChI=1S/C16H26N6O2/c1-16-12(13(23)19(2)15(24)20(16)3)22(11-6-7-11)14(18-16)21-8-4-5-10(17)9-21/h10-12H,4-9,17H2,1-3H3
InChIKeyBVHOEDHPUJGXEA-UHFFFAOYSA-N
XLogP-0.15
TPSA85.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.15
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-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione?
The IUPAC name of 8-(3-aminopiperidin-1-yl)-7-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione (CID 174454813) is 8-(3-aminopiperidin-1-yl)-7-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione.
What is the SMILES notation for 8-(3-aminopiperidin-1-yl)-7-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione?
The canonical SMILES for 8-(3-aminopiperidin-1-yl)-7-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione is CN1C(=O)C2N(C3CC3)C(N3CCCC(N)C3)=NC2(C)N(C)C1=O.
What is the InChIKey of 8-(3-aminopiperidin-1-yl)-7-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione?
The InChIKey is BVHOEDHPUJGXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-16-12(13(23)19(2)15(24)20(16)3)22(11-6-7-11)14(18-16)21-8-4-5-10(17)9-21/h10-12H,4-9,17H2,1-3H3.
What are the key properties of 8-(3-aminopiperidin-1-yl)-7-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione?
8-(3-aminopiperidin-1-yl)-7-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione has a molecular weight of 334.42 g/mol, XLogP of -0.15, 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-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione is sourced from PubChem (CID 174454813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).