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

C18H30N6O2 — CID 174466931

IUPAC8-(3-aminopiperidin-1-yl)-7-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione
SMILESCN1C(=O)C2N(C3CCCC3)C(N3CCCC(N)C3)=NC2(C)N(C)C1=O
InChIInChI=1S/C18H30N6O2/c1-18-14(15(25)21(2)17(26)22(18)3)24(13-8-4-5-9-13)16(20-18)23-10-6-7-12(19)11-23/h12-14H,4-11,19H2,1-3H3
InChIKeyIYSVVMBIHLPSMD-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.63
Rot. Bonds1

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

8-(3-aminopiperidin-1-yl)-7-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione (PubChem CID 174466931) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 8-(3-aminopiperidin-1-yl)-7-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione.

Molecular Properties

Compound Name8-(3-aminopiperidin-1-yl)-7-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione
PubChem CID174466931
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name8-(3-aminopiperidin-1-yl)-7-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione
SMILESCN1C(=O)C2N(C3CCCC3)C(N3CCCC(N)C3)=NC2(C)N(C)C1=O
InChIInChI=1S/C18H30N6O2/c1-18-14(15(25)21(2)17(26)22(18)3)24(13-8-4-5-9-13)16(20-18)23-10-6-7-12(19)11-23/h12-14H,4-11,19H2,1-3H3
InChIKeyIYSVVMBIHLPSMD-UHFFFAOYSA-N
XLogP0.63
TPSA85.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.63
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-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione?
The IUPAC name of 8-(3-aminopiperidin-1-yl)-7-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione (CID 174466931) is 8-(3-aminopiperidin-1-yl)-7-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione.
What is the SMILES notation for 8-(3-aminopiperidin-1-yl)-7-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione?
The canonical SMILES for 8-(3-aminopiperidin-1-yl)-7-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione is CN1C(=O)C2N(C3CCCC3)C(N3CCCC(N)C3)=NC2(C)N(C)C1=O.
What is the InChIKey of 8-(3-aminopiperidin-1-yl)-7-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione?
The InChIKey is IYSVVMBIHLPSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-18-14(15(25)21(2)17(26)22(18)3)24(13-8-4-5-9-13)16(20-18)23-10-6-7-12(19)11-23/h12-14H,4-11,19H2,1-3H3.
What are the key properties of 8-(3-aminopiperidin-1-yl)-7-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione?
8-(3-aminopiperidin-1-yl)-7-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione has a molecular weight of 362.48 g/mol, XLogP of 0.63, 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-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione is sourced from PubChem (CID 174466931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).