ethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate

C14H20N6O2 — CID 19785291

IUPACethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc3cncnc3n2C)CC1
InChIInChI=1S/C14H20N6O2/c1-3-22-14(21)20-6-4-10(5-7-20)17-13-18-11-8-15-9-16-12(11)19(13)2/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyVLDDQPGUSOLFLV-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.40
Rot. Bonds3

About ethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate

ethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate (PubChem CID 19785291) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate
PubChem CID19785291
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Nameethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc3cncnc3n2C)CC1
InChIInChI=1S/C14H20N6O2/c1-3-22-14(21)20-6-4-10(5-7-20)17-13-18-11-8-15-9-16-12(11)19(13)2/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyVLDDQPGUSOLFLV-UHFFFAOYSA-N
XLogP1.40
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate
CID 43776811
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate
CID 14677557
ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329550
ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 80772893
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 106282268
ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate
CID 106560676
ethyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]piperidine-1-carboxylate
CID 113029239
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate (CID 19785291) is ethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc3cncnc3n2C)CC1.
What is the InChIKey of ethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate?
The InChIKey is VLDDQPGUSOLFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-3-22-14(21)20-6-4-10(5-7-20)17-13-18-11-8-15-9-16-12(11)19(13)2/h8-10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of ethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(9-methylpurin-8-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 19785291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).