N,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide

C16H23N5O2 — CID 46988138

IUPACN,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncnc3oc(C)nc23)C1
InChIInChI=1S/C16H23N5O2/c1-4-20(5-2)16(22)12-7-6-8-21(9-12)14-13-15(18-10-17-14)23-11(3)19-13/h10,12H,4-9H2,1-3H3
InChIKeyIVSVPRSPACBICM-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.01
Rot. Bonds4

About N,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide

N,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide (PubChem CID 46988138) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide
PubChem CID46988138
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncnc3oc(C)nc23)C1
InChIInChI=1S/C16H23N5O2/c1-4-20(5-2)16(22)12-7-6-8-21(9-12)14-13-15(18-10-17-14)23-11(3)19-13/h10,12H,4-9H2,1-3H3
InChIKeyIVSVPRSPACBICM-UHFFFAOYSA-N
XLogP2.01
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylimidazol-2-yl)-[1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]methanone
CID 72850551
(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
CID 95125854
(3S)-1-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide
CID 41111633
1-(6-cyanopyrazin-2-yl)-N,N-diethylpiperidine-3-carboxamide
CID 132776180
N,N-diethyl-1-[9-propan-2-yl-6-(propylamino)purin-8-yl]piperidine-3-carboxamide
CID 117084509
N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
CID 117088957
(3S)-N-cyclooctyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866194
N-(4-acetamidophenyl)-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
CID 117094656
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
(3S)-N-butyl-N-ethyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95056427
N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
CID 117094335
1-(3,6-dimethylpyrazin-2-yl)-N,N-diethylpiperidine-4-carboxamide
CID 133469139

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide (CID 46988138) is N,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(c2ncnc3oc(C)nc23)C1.
What is the InChIKey of N,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide?
The InChIKey is IVSVPRSPACBICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-20(5-2)16(22)12-7-6-8-21(9-12)14-13-15(18-10-17-14)23-11(3)19-13/h10,12H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide?
N,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46988138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).