1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one

C14H22N4O2 — CID 166977898

IUPAC1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1CNc1ncc(OC)cn1
InChIInChI=1S/C14H22N4O2/c1-3-13(19)18-7-5-4-6-11(18)8-15-14-16-9-12(20-2)10-17-14/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyLZQRRJQLKRHBTH-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.69
Rot. Bonds5

About 1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one

1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one (PubChem CID 166977898) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one
PubChem CID166977898
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1CNc1ncc(OC)cn1
InChIInChI=1S/C14H22N4O2/c1-3-13(19)18-7-5-4-6-11(18)8-15-14-16-9-12(20-2)10-17-14/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyLZQRRJQLKRHBTH-UHFFFAOYSA-N
XLogP1.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[[(5-bromopyrimidin-2-yl)amino]methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 67090176
(2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid
CID 67090908
tert-butyl (2S)-2-[[(5-methylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 123611889
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
tert-butyl (2S)-2-[[[5-[4-[2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]amino]methyl]pyrrolidine-1-carboxylate;sulfane
CID 161106322
(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257901
2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 140516562
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 142036385
5-methoxy-N-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine
CID 114600775
1-[(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 95158836

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one (CID 166977898) is 1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCCC1CNc1ncc(OC)cn1.
What is the InChIKey of 1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is LZQRRJQLKRHBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-13(19)18-7-5-4-6-11(18)8-15-14-16-9-12(20-2)10-17-14/h9-11H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one?
1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 278.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 166977898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).