(3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide

C15H22N6O — CID 40920678

IUPAC(3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@H]1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C15H22N6O/c1-10(2)6-16-15(22)11-4-3-5-21(7-11)14-12-13(18-8-17-12)19-9-20-14/h8-11H,3-7H2,1-2H3,(H,16,22)(H,17,18,19,20)/t11-/m0/s1
InChIKeyMXJOYOTWPVGRAE-NSHDSACASA-N
MW302.38 g/mol
LogP1.34
Rot. Bonds4

About (3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide

(3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide (PubChem CID 40920678) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
PubChem CID40920678
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@H]1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C15H22N6O/c1-10(2)6-16-15(22)11-4-3-5-21(7-11)14-12-13(18-8-17-12)19-9-20-14/h8-11H,3-7H2,1-2H3,(H,16,22)(H,17,18,19,20)/t11-/m0/s1
InChIKeyMXJOYOTWPVGRAE-NSHDSACASA-N
XLogP1.34
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40920901
(3R)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40816072
(3S)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40816143
(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-(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
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
N-(2-methylpropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839376
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40921246
(3S)-1-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 95137868
(3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085826

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide (CID 40920678) is (3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide is CC(C)CNC(=O)[C@H]1CCCN(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of (3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide?
The InChIKey is MXJOYOTWPVGRAE-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N6O/c1-10(2)6-16-15(22)11-4-3-5-21(7-11)14-12-13(18-8-17-12)19-9-20-14/h8-11H,3-7H2,1-2H3,(H,16,22)(H,17,18,19,20)/t11-/m0/s1.
What are the key properties of (3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide?
(3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methylpropyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 40920678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).