3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one

C18H27N7O — CID 72928977

IUPAC3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one
SMILESCN1CCCCC1CCC(=O)N1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C18H27N7O/c1-23-7-3-2-4-14(23)5-6-15(26)24-8-10-25(11-9-24)18-16-17(20-12-19-16)21-13-22-18/h12-14H,2-11H2,1H3,(H,19,20,21,22)
InChIKeyZFHJADABXSEXFZ-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.27
Rot. Bonds4

About 3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one

3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one (PubChem CID 72928977) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one
PubChem CID72928977
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one
SMILESCN1CCCCC1CCC(=O)N1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C18H27N7O/c1-23-7-3-2-4-14(23)5-6-15(26)24-8-10-25(11-9-24)18-16-17(20-12-19-16)21-13-22-18/h12-14H,2-11H2,1H3,(H,19,20,21,22)
InChIKeyZFHJADABXSEXFZ-UHFFFAOYSA-N
XLogP1.27
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

cyclopropyl-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone
CID 133499116
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
methyl 3-[4-(7H-purin-6-yl)piperazin-1-yl]propanoate
CID 78982809
6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
CID 166246145
3-(1-methylpiperidin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 110849364
6-[(3S)-3-ethylsulfanylazepan-1-yl]-7H-purine
CID 95622987
1-[6-hydroxy-4-(7H-purin-6-yl)-1,4-diazepan-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 74245924
N-(3-methylcyclohexyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
CID 133293462
3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide
CID 71933356
1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-3-[(2R)-1-methylpiperidin-2-yl]propan-1-one
CID 97198726
6-(2-methylpiperidin-1-yl)-7H-purine
CID 131955162
2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone
CID 142843203

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one (CID 72928977) is 3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one is CN1CCCCC1CCC(=O)N1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one?
The InChIKey is ZFHJADABXSEXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-23-7-3-2-4-14(23)5-6-15(26)24-8-10-25(11-9-24)18-16-17(20-12-19-16)21-13-22-18/h12-14H,2-11H2,1H3,(H,19,20,21,22).
What are the key properties of 3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one?
3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one has a molecular weight of 357.46 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 72928977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).