(3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide

C19H22N6O2 — CID 40816072

IUPAC(3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)[C@@H]1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C19H22N6O2/c26-15-5-3-13(4-6-15)7-8-20-19(27)14-2-1-9-25(10-14)18-16-17(22-11-21-16)23-12-24-18/h3-6,11-12,14,26H,1-2,7-10H2,(H,20,27)(H,21,22,23,24)/t14-/m1/s1
InChIKeyGHIXAQUIRUXLLZ-CQSZACIVSA-N
MW366.43 g/mol
LogP1.63
Rot. Bonds5

About (3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide

(3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide (PubChem CID 40816072) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is (3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
PubChem CID40816072
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name(3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)[C@@H]1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C19H22N6O2/c26-15-5-3-13(4-6-15)7-8-20-19(27)14-2-1-9-25(10-14)18-16-17(22-11-21-16)23-12-24-18/h3-6,11-12,14,26H,1-2,7-10H2,(H,20,27)(H,21,22,23,24)/t14-/m1/s1
InChIKeyGHIXAQUIRUXLLZ-CQSZACIVSA-N
XLogP1.63
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40816143
(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
(3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40920901
(3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40921094
(3S)-N-(2-methoxyethyl)-1-[1-(7H-purin-6-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95552824
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40921246
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 20929427
1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 46282638
(3S)-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40826525
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
N-[2-(4-hydroxyphenyl)ethyl]cyclooctanecarboxamide
CID 65023099

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide (CID 40816072) is (3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide is O=C(NCCc1ccc(O)cc1)[C@@H]1CCCN(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of (3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide?
The InChIKey is GHIXAQUIRUXLLZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N6O2/c26-15-5-3-13(4-6-15)7-8-20-19(27)14-2-1-9-25(10-14)18-16-17(22-11-21-16)23-12-24-18/h3-6,11-12,14,26H,1-2,7-10H2,(H,20,27)(H,21,22,23,24)/t14-/m1/s1.
What are the key properties of (3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide?
(3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 40816072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).