N-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide

C14H20N6O2 — CID 87051757

IUPACN-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(n2c(=O)n(C)c3cncnc32)C1
InChIInChI=1S/C14H20N6O2/c1-3-16-13(21)19-6-4-5-10(8-19)20-12-11(7-15-9-17-12)18(2)14(20)22/h7,9-10H,3-6,8H2,1-2H3,(H,16,21)
InChIKeyBSECZAWMPLWKPW-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.50
Rot. Bonds2

About N-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide

N-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide (PubChem CID 87051757) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide
PubChem CID87051757
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC NameN-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(n2c(=O)n(C)c3cncnc32)C1
InChIInChI=1S/C14H20N6O2/c1-3-16-13(21)19-6-4-5-10(8-19)20-12-11(7-15-9-17-12)18(2)14(20)22/h7,9-10H,3-6,8H2,1-2H3,(H,16,21)
InChIKeyBSECZAWMPLWKPW-UHFFFAOYSA-N
XLogP0.50
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide?
The IUPAC name of N-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide (CID 87051757) is N-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide is CCNC(=O)N1CCCC(n2c(=O)n(C)c3cncnc32)C1.
What is the InChIKey of N-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide?
The InChIKey is BSECZAWMPLWKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-3-16-13(21)19-6-4-5-10(8-19)20-12-11(7-15-9-17-12)18(2)14(20)22/h7,9-10H,3-6,8H2,1-2H3,(H,16,21).
What are the key properties of N-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide?
N-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide is sourced from PubChem (CID 87051757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).