N-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide

C18H28N6O — CID 154736939

IUPACN-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCCn1cnc2c(N3CCCC(CNC(=O)C(C)(C)C)C3)ncnc21
InChIInChI=1S/C18H28N6O/c1-5-23-12-22-14-15(23)20-11-21-16(14)24-8-6-7-13(10-24)9-19-17(25)18(2,3)4/h11-13H,5-10H2,1-4H3,(H,19,25)
InChIKeyNQZJLBJZQFGBKK-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.22
Rot. Bonds4

About N-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide

N-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 154736939) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
PubChem CID154736939
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCCn1cnc2c(N3CCCC(CNC(=O)C(C)(C)C)C3)ncnc21
InChIInChI=1S/C18H28N6O/c1-5-23-12-22-14-15(23)20-11-21-16(14)24-8-6-7-13(10-24)9-19-17(25)18(2,3)4/h11-13H,5-10H2,1-4H3,(H,19,25)
InChIKeyNQZJLBJZQFGBKK-UHFFFAOYSA-N
XLogP2.22
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide
CID 75522922
2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 122141900
9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine
CID 124872852
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357600
9-(cyclopropylmethyl)-6-piperidin-1-ylpurine
CID 10634902
2-(9-ethylpurin-6-yl)-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 155977098
N-[[1-(2-bromo-4-nitrophenyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 133352828
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 95210439
6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine
CID 126818343
tert-butyl N-[[(3S)-1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]carbamate
CID 97007693

Frequently Asked Questions

What is the IUPAC name of N-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide (CID 154736939) is N-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide is CCn1cnc2c(N3CCCC(CNC(=O)C(C)(C)C)C3)ncnc21.
What is the InChIKey of N-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is NQZJLBJZQFGBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-5-23-12-22-14-15(23)20-11-21-16(14)24-8-6-7-13(10-24)9-19-17(25)18(2,3)4/h11-13H,5-10H2,1-4H3,(H,19,25).
What are the key properties of N-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
N-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 344.46 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 154736939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).