2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide

C17H27N7O — CID 122141900

IUPAC2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCCn1cnc2c(NCC3CCN(CC(=O)N(C)C)CC3)ncnc21
InChIInChI=1S/C17H27N7O/c1-4-24-12-21-15-16(19-11-20-17(15)24)18-9-13-5-7-23(8-6-13)10-14(25)22(2)3/h11-13H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyVOIUEISPKXNRHH-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.06
Rot. Bonds6

About 2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 122141900) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID122141900
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCCn1cnc2c(NCC3CCN(CC(=O)N(C)C)CC3)ncnc21
InChIInChI=1S/C17H27N7O/c1-4-24-12-21-15-16(19-11-20-17(15)24)18-9-13-5-7-23(8-6-13)10-14(25)22(2)3/h11-13H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyVOIUEISPKXNRHH-UHFFFAOYSA-N
XLogP1.06
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide (CID 122141900) is 2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide is CCn1cnc2c(NCC3CCN(CC(=O)N(C)C)CC3)ncnc21.
What is the InChIKey of 2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is VOIUEISPKXNRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-4-24-12-21-15-16(19-11-20-17(15)24)18-9-13-5-7-23(8-6-13)10-14(25)22(2)3/h11-13H,4-10H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 345.45 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 122141900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).