1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

C15H19N7O3 — CID 70748323

IUPAC1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCCC(C(=O)NCc2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C15H19N7O3/c16-11(23)9-22-6-1-3-10(8-22)15(24)19-7-12-20-14(21-25-12)13-17-4-2-5-18-13/h2,4-5,10H,1,3,6-9H2,(H2,16,23)(H,19,24)
InChIKeyABESVGCAJYYKQQ-UHFFFAOYSA-N
MW345.36 g/mol
LogP-0.66
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 70748323) has the molecular formula C15H19N7O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID70748323
Molecular FormulaC15H19N7O3
Molecular Weight345.36 g/mol
Exact Mass345.15
IUPAC Name1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCCC(C(=O)NCc2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C15H19N7O3/c16-11(23)9-22-6-1-3-10(8-22)15(24)19-7-12-20-14(21-25-12)13-17-4-2-5-18-13/h2,4-5,10H,1,3,6-9H2,(H2,16,23)(H,19,24)
InChIKeyABESVGCAJYYKQQ-UHFFFAOYSA-N
XLogP-0.66
TPSA140.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 70748323) is 1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is NC(=O)CN1CCCC(C(=O)NCc2nc(-c3ncccn3)no2)C1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is ABESVGCAJYYKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O3/c16-11(23)9-22-6-1-3-10(8-22)15(24)19-7-12-20-14(21-25-12)13-17-4-2-5-18-13/h2,4-5,10H,1,3,6-9H2,(H2,16,23)(H,19,24).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of -0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 70748323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).