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

C16H26N6O4 — CID 142690130

IUPACN,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
SMILESCCN(CC)C(=O)N1C(=O)NC(=O)C2(OC)N=CN(C3CCNCC3)C12
InChIInChI=1S/C16H26N6O4/c1-4-20(5-2)15(25)22-13-16(26-3,12(23)19-14(22)24)18-10-21(13)11-6-8-17-9-7-11/h10-11,13,17H,4-9H2,1-3H3,(H,19,23,24)
InChIKeyGIZAVPSIZACGQV-UHFFFAOYSA-N
MW366.42 g/mol
LogP-0.24
Rot. Bonds4

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

N,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide (PubChem CID 142690130) has the molecular formula C16H26N6O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
PubChem CID142690130
Molecular FormulaC16H26N6O4
Molecular Weight366.42 g/mol
Exact Mass366.20
IUPAC NameN,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
SMILESCCN(CC)C(=O)N1C(=O)NC(=O)C2(OC)N=CN(C3CCNCC3)C12
InChIInChI=1S/C16H26N6O4/c1-4-20(5-2)15(25)22-13-16(26-3,12(23)19-14(22)24)18-10-21(13)11-6-8-17-9-7-11/h10-11,13,17H,4-9H2,1-3H3,(H,19,23,24)
InChIKeyGIZAVPSIZACGQV-UHFFFAOYSA-N
XLogP-0.24
TPSA106.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

3-bromo-5-methoxy-9-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-4H-purine-2,6-dione
CID 142690175
9-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-5-methoxy-4H-purine-2,6-dione
CID 142689753
9-(8-azabicyclo[3.2.1]octan-3-yl)-N,N-diethyl-5-methoxy-2,6-dioxo-4H-purine-3-carboxamide
CID 142689762
9-(8-azabicyclo[3.2.1]octan-3-yl)-N,N-diethyl-5-hydroxy-2,6-dioxo-4H-purine-3-carboxamide
CID 142689812
tert-butyl 4-(3-cyano-5-methoxy-2,6-dioxo-4H-purin-9-yl)piperidine-1-carboxylate
CID 142690137
3-bromo-5-methoxy-9-piperidin-4-yl-4H-purine-2,6-dione
CID 142690144
N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide
CID 142690152
tert-butyl 4-(3-bromo-5-methoxy-2,6-dioxo-4H-purin-9-yl)piperidine-1-carboxylate
CID 142690156
N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
CID 142690157
5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carbonitrile
CID 142690168
N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
CID 142690184
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 53237793

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
The IUPAC name of N,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide (CID 142690130) is N,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide is CCN(CC)C(=O)N1C(=O)NC(=O)C2(OC)N=CN(C3CCNCC3)C12.
What is the InChIKey of N,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
The InChIKey is GIZAVPSIZACGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O4/c1-4-20(5-2)15(25)22-13-16(26-3,12(23)19-14(22)24)18-10-21(13)11-6-8-17-9-7-11/h10-11,13,17H,4-9H2,1-3H3,(H,19,23,24).
What are the key properties of N,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
N,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide is sourced from PubChem (CID 142690130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).