(2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone

C19H28N6O — CID 46986027

IUPAC(2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCCC(Cn3cc(CC(C)C)nn3)C2)cn1
InChIInChI=1S/C19H28N6O/c1-4-18-20-9-16(10-21-18)19(26)24-7-5-6-15(11-24)12-25-13-17(22-23-25)8-14(2)3/h9-10,13-15H,4-8,11-12H2,1-3H3
InChIKeyICBYXFYNHNLVDF-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.38
Rot. Bonds6

About (2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone

(2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone (PubChem CID 46986027) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
PubChem CID46986027
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name(2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCCC(Cn3cc(CC(C)C)nn3)C2)cn1
InChIInChI=1S/C19H28N6O/c1-4-18-20-9-16(10-21-18)19(26)24-7-5-6-15(11-24)12-25-13-17(22-23-25)8-14(2)3/h9-10,13-15H,4-8,11-12H2,1-3H3
InChIKeyICBYXFYNHNLVDF-UHFFFAOYSA-N
XLogP2.38
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 46995345
[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 46992938
[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 46987852
[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propylpyrazolidin-3-yl)methanone
CID 75257075
(2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 74234380
1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 129495083
[(3S)-3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-cycloheptylmethanone
CID 95047345
[(3S)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 31053519
(E)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(3R)-3-[(4-ethyltriazol-1-yl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 159330970
[(3R)-3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 29185158
[3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 45210866
[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 31192928

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone (CID 46986027) is (2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone is CCc1ncc(C(=O)N2CCCC(Cn3cc(CC(C)C)nn3)C2)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is ICBYXFYNHNLVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-4-18-20-9-16(10-21-18)19(26)24-7-5-6-15(11-24)12-25-13-17(22-23-25)8-14(2)3/h9-10,13-15H,4-8,11-12H2,1-3H3.
What are the key properties of (2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
(2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46986027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).