(3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide

C20H24N6O — CID 40920901

IUPAC(3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4nc[nH]c34)C2)cc1
InChIInChI=1S/C20H24N6O/c1-13(2)14-5-7-16(8-6-14)25-20(27)15-4-3-9-26(10-15)19-17-18(22-11-21-17)23-12-24-19/h5-8,11-13,15H,3-4,9-10H2,1-2H3,(H,25,27)(H,21,22,23,24)/t15-/m1/s1
InChIKeyIHZPQWPZUDZGEG-OAHLLOKOSA-N
MW364.45 g/mol
LogP3.33
Rot. Bonds4

About (3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide

(3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide (PubChem CID 40920901) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
PubChem CID40920901
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4nc[nH]c34)C2)cc1
InChIInChI=1S/C20H24N6O/c1-13(2)14-5-7-16(8-6-14)25-20(27)15-4-3-9-26(10-15)19-17-18(22-11-21-17)23-12-24-19/h5-8,11-13,15H,3-4,9-10H2,1-2H3,(H,25,27)(H,21,22,23,24)/t15-/m1/s1
InChIKeyIHZPQWPZUDZGEG-OAHLLOKOSA-N
XLogP3.33
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40921094
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40921246
(3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40920678
(3S)-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 40920723
(3S)-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40826525
(3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40816072
1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 90519234
(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 1452732
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 95050445
(3S)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40816143
N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 16875992

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide (CID 40920901) is (3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide is CC(C)c1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4nc[nH]c34)C2)cc1.
What is the InChIKey of (3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide?
The InChIKey is IHZPQWPZUDZGEG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13(2)14-5-7-16(8-6-14)25-20(27)15-4-3-9-26(10-15)19-17-18(22-11-21-17)23-12-24-19/h5-8,11-13,15H,3-4,9-10H2,1-2H3,(H,25,27)(H,21,22,23,24)/t15-/m1/s1.
What are the key properties of (3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide?
(3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 40920901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).