1-(7H-purin-6-yl)piperidine-4-carboxamide

C11H14N6O — CID 756695

IUPAC1-(7H-purin-6-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C11H14N6O/c12-9(18)7-1-3-17(4-2-7)11-8-10(14-5-13-8)15-6-16-11/h5-7H,1-4H2,(H2,12,18)(H,13,14,15,16)
InChIKeyQPKOOAWJSYVLQU-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.05
Rot. Bonds2

About 1-(7H-purin-6-yl)piperidine-4-carboxamide

1-(7H-purin-6-yl)piperidine-4-carboxamide (PubChem CID 756695) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(7H-purin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(7H-purin-6-yl)piperidine-4-carboxamide
PubChem CID756695
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-(7H-purin-6-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C11H14N6O/c12-9(18)7-1-3-17(4-2-7)11-8-10(14-5-13-8)15-6-16-11/h5-7H,1-4H2,(H2,12,18)(H,13,14,15,16)
InChIKeyQPKOOAWJSYVLQU-UHFFFAOYSA-N
XLogP0.05
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7H-purin-6-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(7H-purin-6-yl)piperidine-4-carboxamide (CID 756695) is 1-(7H-purin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(7H-purin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(7H-purin-6-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 1-(7H-purin-6-yl)piperidine-4-carboxamide?
The InChIKey is QPKOOAWJSYVLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c12-9(18)7-1-3-17(4-2-7)11-8-10(14-5-13-8)15-6-16-11/h5-7H,1-4H2,(H2,12,18)(H,13,14,15,16).
What are the key properties of 1-(7H-purin-6-yl)piperidine-4-carboxamide?
1-(7H-purin-6-yl)piperidine-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7H-purin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 756695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).