5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide

C15H23ClN6O3 — CID 142690148

IUPAC5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
SMILESCCN(CC)C(=O)N1C(=O)NC(=O)C2(Cl)N=CN(C3CCNCC3)C12
InChIInChI=1S/C15H23ClN6O3/c1-3-20(4-2)14(25)22-12-15(16,11(23)19-13(22)24)18-9-21(12)10-5-7-17-8-6-10/h9-10,12,17H,3-8H2,1-2H3,(H,19,23,24)
InChIKeyRVOPJBBZKHZAPM-UHFFFAOYSA-N
MW370.84 g/mol
LogP0.36
Rot. Bonds3

About 5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide

5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide (PubChem CID 142690148) has the molecular formula C15H23ClN6O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
PubChem CID142690148
Molecular FormulaC15H23ClN6O3
Molecular Weight370.84 g/mol
Exact Mass370.15
IUPAC Name5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
SMILESCCN(CC)C(=O)N1C(=O)NC(=O)C2(Cl)N=CN(C3CCNCC3)C12
InChIInChI=1S/C15H23ClN6O3/c1-3-20(4-2)14(25)22-12-15(16,11(23)19-13(22)24)18-9-21(12)10-5-7-17-8-6-10/h9-10,12,17H,3-8H2,1-2H3,(H,19,23,24)
InChIKeyRVOPJBBZKHZAPM-UHFFFAOYSA-N
XLogP0.36
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
1-(5-Aminohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 138963613
7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione
CID 70129820
9-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-N,N-diethyl-2,6-dioxo-4H-purine-3-carboxamide
CID 142689746
9-chloro-10-[(3S)-3-ethyl-4-piperidin-4-ylpiperazin-4-ium-1-yl]-3,4,5,6,7a,11a-hexahydro-1H-pyrazino[2,3-h][1,3,6]triazonine-2,7-dione
CID 143278794
8-(3-aminopiperidin-1-yl)-7-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione
CID 174454813
8-(3-aminopiperidin-1-yl)-7-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione
CID 174466931
1,3-Dimethyl-8-piperazinyl-1,3,4,5-tetrahydropurine-2,6-dione
CID 16637311
N-[4-(dimethylamino)cyclohexyl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide
CID 53237792
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 53237793
3-Methyl-8-piperazin-1-yl-7-propan-2-yl-4,5-dihydropurine-2,6-dione
CID 73257368
2-[4-(7-Hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide
CID 73282258

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
The IUPAC name of 5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide (CID 142690148) is 5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide.
What is the SMILES notation for 5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
The canonical SMILES for 5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide is CCN(CC)C(=O)N1C(=O)NC(=O)C2(Cl)N=CN(C3CCNCC3)C12.
What is the InChIKey of 5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
The InChIKey is RVOPJBBZKHZAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN6O3/c1-3-20(4-2)14(25)22-12-15(16,11(23)19-13(22)24)18-9-21(12)10-5-7-17-8-6-10/h9-10,12,17H,3-8H2,1-2H3,(H,19,23,24).
What are the key properties of 5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-diethyl-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide is sourced from PubChem (CID 142690148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).