1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide

C15H22N4O3 — CID 136998455

IUPAC1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCCC1C(=O)NCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C15H22N4O3/c1-10-9-14(21)18-13(17-10)6-7-16-15(22)12-5-3-4-8-19(12)11(2)20/h9,12H,3-8H2,1-2H3,(H,16,22)(H,17,18,21)
InChIKeyPQRIZPFLTORWJN-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.14
Rot. Bonds4

About 1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide

1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide (PubChem CID 136998455) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide
PubChem CID136998455
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCCC1C(=O)NCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C15H22N4O3/c1-10-9-14(21)18-13(17-10)6-7-16-15(22)12-5-3-4-8-19(12)11(2)20/h9,12H,3-8H2,1-2H3,(H,16,22)(H,17,18,21)
InChIKeyPQRIZPFLTORWJN-UHFFFAOYSA-N
XLogP0.14
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide (CID 136998455) is 1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide is CC(=O)N1CCCCC1C(=O)NCCc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is PQRIZPFLTORWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-9-14(21)18-13(17-10)6-7-16-15(22)12-5-3-4-8-19(12)11(2)20/h9,12H,3-8H2,1-2H3,(H,16,22)(H,17,18,21).
What are the key properties of 1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide?
1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 136998455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).