N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide

C15H22N6O3 — CID 87051759

IUPACN-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCC(n2c(=O)n(C)c3cncnc32)C1
InChIInChI=1S/C15H22N6O3/c1-19-12-8-16-10-18-13(12)21(15(19)23)11-4-3-6-20(9-11)14(22)17-5-7-24-2/h8,10-11H,3-7,9H2,1-2H3,(H,17,22)
InChIKeyDAIGFEVQDKLTSV-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.12
Rot. Bonds4

About N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide

N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide (PubChem CID 87051759) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide
PubChem CID87051759
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC NameN-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCC(n2c(=O)n(C)c3cncnc32)C1
InChIInChI=1S/C15H22N6O3/c1-19-12-8-16-10-18-13(12)21(15(19)23)11-4-3-6-20(9-11)14(22)17-5-7-24-2/h8,10-11H,3-7,9H2,1-2H3,(H,17,22)
InChIKeyDAIGFEVQDKLTSV-UHFFFAOYSA-N
XLogP0.12
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide
CID 91909929
N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260046
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 171141982
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
3-(5-bromopyrimidin-2-yl)oxy-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122259108
9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one
CID 53181163
N-(2-methoxyethyl)-3,4-dimethylpiperazine-1-carboxamide
CID 167088370
(3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 96999655
N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 90540574
1-[(3S)-1-[2-(3-chloro-5-methoxyphenyl)acetyl]piperidin-3-yl]-3-methyl-6-(methylamino)imidazo[4,5-b]pyridin-2-one
CID 178098553
9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one
CID 142742460
(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119985

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide (CID 87051759) is N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide is COCCNC(=O)N1CCCC(n2c(=O)n(C)c3cncnc32)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide?
The InChIKey is DAIGFEVQDKLTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-19-12-8-16-10-18-13(12)21(15(19)23)11-4-3-6-20(9-11)14(22)17-5-7-24-2/h8,10-11H,3-7,9H2,1-2H3,(H,17,22).
What are the key properties of N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide?
N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide is sourced from PubChem (CID 87051759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).