3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one

C13H20N4O2 — CID 123212940

IUPAC3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one
SMILESCCN(CC1CCCNC1=O)c1nccc(OC)n1
InChIInChI=1S/C13H20N4O2/c1-3-17(9-10-5-4-7-14-12(10)18)13-15-8-6-11(16-13)19-2/h6,8,10H,3-5,7,9H2,1-2H3,(H,14,18)
InChIKeyNNTQFFIEJPEKJD-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.84
Rot. Bonds5

About 3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one

3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one (PubChem CID 123212940) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one
PubChem CID123212940
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one
SMILESCCN(CC1CCCNC1=O)c1nccc(OC)n1
InChIInChI=1S/C13H20N4O2/c1-3-17(9-10-5-4-7-14-12(10)18)13-15-8-6-11(16-13)19-2/h6,8,10H,3-5,7,9H2,1-2H3,(H,14,18)
InChIKeyNNTQFFIEJPEKJD-UHFFFAOYSA-N
XLogP0.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 645990
US9624218, Example 13
CID 138374299
N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 32114116
2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 47073311
2-[4-[(4-Methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 56821485
2-[1-(5-Bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide
CID 72107527
N-[rel-(3R,4S)-1-(4-methoxy-2-pyrimidinyl)-4-propyl-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72878117
2-(4-Methoxypyrimidin-2-YL)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72885752
7-Isopropyl-2-(4-methoxypyrimidin-2-YL)-2,7-diazaspiro[4.5]decan-6-one
CID 72904636
7-(Cyclopropylmethyl)-2-(4-methoxypyrimidin-2-YL)-2,7-diazaspiro[4.5]decan-6-one
CID 72940676
(1S*,5R*)-6-(cyclobutylmethyl)-3-(4-methoxy-2-pyrimidinyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133131033
N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide
CID 136548989

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one?
The IUPAC name of 3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one (CID 123212940) is 3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one.
What is the SMILES notation for 3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one?
The canonical SMILES for 3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one is CCN(CC1CCCNC1=O)c1nccc(OC)n1.
What is the InChIKey of 3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one?
The InChIKey is NNTQFFIEJPEKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-17(9-10-5-4-7-14-12(10)18)13-15-8-6-11(16-13)19-2/h6,8,10H,3-5,7,9H2,1-2H3,(H,14,18).
What are the key properties of 3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one?
3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 123212940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).