[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone

C15H22N6O — CID 164635271

IUPAC[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone
SMILESCCn1ncc(C(=O)N2CCCC[C@H]2c2nccn2CC)n1
InChIInChI=1S/C15H22N6O/c1-3-19-10-8-16-14(19)13-7-5-6-9-20(13)15(22)12-11-17-21(4-2)18-12/h8,10-11,13H,3-7,9H2,1-2H3/t13-/m0/s1
InChIKeyCDBUNSVKISKPRX-ZDUSSCGKSA-N
MW302.38 g/mol
LogP1.88
Rot. Bonds4

About [(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone

[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone (PubChem CID 164635271) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is [(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone
PubChem CID164635271
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone
SMILESCCn1ncc(C(=O)N2CCCC[C@H]2c2nccn2CC)n1
InChIInChI=1S/C15H22N6O/c1-3-19-10-8-16-14(19)13-7-5-6-9-20(13)15(22)12-11-17-21(4-2)18-12/h8,10-11,13H,3-7,9H2,1-2H3/t13-/m0/s1
InChIKeyCDBUNSVKISKPRX-ZDUSSCGKSA-N
XLogP1.88
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 42465167
[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 53602141
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propyl-1H-1,2,3-triazole-5-carboxamide
CID 56910576
Pyrrolidin-1-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone
CID 71911568
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72043991
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
CID 72127418
(2-propan-2-yl-1H-imidazol-5-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72128796
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72141944
1H-imidazol-5-yl-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 72141976
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 72142910
Pyrrolidin-1-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone
CID 53167910
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-piperazin-1-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70706289

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone (CID 164635271) is [(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone is CCn1ncc(C(=O)N2CCCC[C@H]2c2nccn2CC)n1.
What is the InChIKey of [(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone?
The InChIKey is CDBUNSVKISKPRX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N6O/c1-3-19-10-8-16-14(19)13-7-5-6-9-20(13)15(22)12-11-17-21(4-2)18-12/h8,10-11,13H,3-7,9H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone?
[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-(2-ethyltriazol-4-yl)methanone is sourced from PubChem (CID 164635271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).