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

C15H22N4O3 — CID 137036831

IUPAC(2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCC[C@H]1C(=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)/t12-/m0/s1
InChIKeyPQRIZPFLTORWJN-LBPRGKRZSA-N
MW306.37 g/mol
LogP0.14
Rot. Bonds4

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

(2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide (PubChem CID 137036831) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide
PubChem CID137036831
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCC[C@H]1C(=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)/t12-/m0/s1
InChIKeyPQRIZPFLTORWJN-LBPRGKRZSA-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 (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide (CID 137036831) is (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide is CC(=O)N1CCCC[C@H]1C(=O)NCCc1nc(C)cc(=O)[nH]1.
What is the InChIKey of (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is PQRIZPFLTORWJN-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide?
(2S)-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 (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 137036831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).