1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone

C15H22N6O2 — CID 47911056

IUPAC1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
SMILESCCOC1CCCN(C(=O)CN(C)c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C15H22N6O2/c1-3-23-11-5-4-6-21(7-11)12(22)8-20(2)15-13-14(17-9-16-13)18-10-19-15/h9-11H,3-8H2,1-2H3,(H,16,17,18,19)
InChIKeyRMSZUJBMTSRBBP-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.82
Rot. Bonds5

About 1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone

1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone (PubChem CID 47911056) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
PubChem CID47911056
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
SMILESCCOC1CCCN(C(=O)CN(C)c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C15H22N6O2/c1-3-23-11-5-4-6-21(7-11)12(22)8-20(2)15-13-14(17-9-16-13)18-10-19-15/h9-11H,3-8H2,1-2H3,(H,16,17,18,19)
InChIKeyRMSZUJBMTSRBBP-UHFFFAOYSA-N
XLogP0.82
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl(7H-purin-6-yl)amino]-1-[(3R)-3-propoxypiperidin-1-yl]ethanone
CID 94823093
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 97314495
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 119413297
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone;dihydrochloride
CID 119648151
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 154775389
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 75466648
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 124777152
9-[2-[methyl(7H-purin-6-yl)amino]acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 136534664
N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51077841
1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 166187814
2-[methyl(7H-purin-6-yl)amino]-1-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
CID 97313680
N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119621339

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone?
The IUPAC name of 1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone (CID 47911056) is 1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone.
What is the SMILES notation for 1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone?
The canonical SMILES for 1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone is CCOC1CCCN(C(=O)CN(C)c2ncnc3nc[nH]c23)C1.
What is the InChIKey of 1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone?
The InChIKey is RMSZUJBMTSRBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-3-23-11-5-4-6-21(7-11)12(22)8-20(2)15-13-14(17-9-16-13)18-10-19-15/h9-11H,3-8H2,1-2H3,(H,16,17,18,19).
What are the key properties of 1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone?
1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone has a molecular weight of 318.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone is sourced from PubChem (CID 47911056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).