(3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide

C17H17FN6O — CID 40921094

IUPAC(3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@@H]1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C17H17FN6O/c18-12-4-1-5-13(7-12)23-17(25)11-3-2-6-24(8-11)16-14-15(20-9-19-14)21-10-22-16/h1,4-5,7,9-11H,2-3,6,8H2,(H,23,25)(H,19,20,21,22)/t11-/m1/s1
InChIKeyQYNHPYJONBTCAZ-LLVKDONJSA-N
MW340.36 g/mol
LogP2.35
Rot. Bonds3

About (3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide

(3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide (PubChem CID 40921094) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is (3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
PubChem CID40921094
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name(3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@@H]1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C17H17FN6O/c18-12-4-1-5-13(7-12)23-17(25)11-3-2-6-24(8-11)16-14-15(20-9-19-14)21-10-22-16/h1,4-5,7,9-11H,2-3,6,8H2,(H,23,25)(H,19,20,21,22)/t11-/m1/s1
InChIKeyQYNHPYJONBTCAZ-LLVKDONJSA-N
XLogP2.35
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40921246
(3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40920901
(3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 40920723
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412
(3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40920678
1-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 3224220
(3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40816072
(3R)-N-(3-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 93065205
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 90520791
N-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53033873
(3S)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40816143
N-(3-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 50834334

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide (CID 40921094) is (3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide is O=C(Nc1cccc(F)c1)[C@@H]1CCCN(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of (3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide?
The InChIKey is QYNHPYJONBTCAZ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17FN6O/c18-12-4-1-5-13(7-12)23-17(25)11-3-2-6-24(8-11)16-14-15(20-9-19-14)21-10-22-16/h1,4-5,7,9-11H,2-3,6,8H2,(H,23,25)(H,19,20,21,22)/t11-/m1/s1.
What are the key properties of (3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide?
(3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 40921094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).