N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide

C17H23FN6O2 — CID 166601069

IUPACN-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCn1cnc2c(N3CCC(F)(CNC(=O)C4CCOC4)CC3)ncnc21
InChIInChI=1S/C17H23FN6O2/c1-23-11-22-13-14(23)20-10-21-15(13)24-5-3-17(18,4-6-24)9-19-16(25)12-2-7-26-8-12/h10-12H,2-9H2,1H3,(H,19,25)
InChIKeyDSOBLPYVCRAGGB-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.82
Rot. Bonds4

About N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide

N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 166601069) has the molecular formula C17H23FN6O2 and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID166601069
Molecular FormulaC17H23FN6O2
Molecular Weight362.41 g/mol
Exact Mass362.19
IUPAC NameN-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCn1cnc2c(N3CCC(F)(CNC(=O)C4CCOC4)CC3)ncnc21
InChIInChI=1S/C17H23FN6O2/c1-23-11-22-13-14(23)20-10-21-15(13)24-5-3-17(18,4-6-24)9-19-16(25)12-2-7-26-8-12/h10-12H,2-9H2,1H3,(H,19,25)
InChIKeyDSOBLPYVCRAGGB-UHFFFAOYSA-N
XLogP0.82
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165432283
N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600641
N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165432188
N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600864
N-[[1-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165433346
N-[[4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600643
N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600992
N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166601390
[1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163351886
N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide
CID 165431964
6-(azetidin-1-yl)-9-methylpurine
CID 147079717
N-[[1-(3-cyano-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
CID 175648199

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide (CID 166601069) is N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide is Cn1cnc2c(N3CCC(F)(CNC(=O)C4CCOC4)CC3)ncnc21.
What is the InChIKey of N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is DSOBLPYVCRAGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O2/c1-23-11-22-13-14(23)20-10-21-15(13)24-5-3-17(18,4-6-24)9-19-16(25)12-2-7-26-8-12/h10-12H,2-9H2,1H3,(H,19,25).
What are the key properties of N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide?
N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 166601069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).