(2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine

C17H27N5 — CID 124754791

IUPAC(2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine
SMILESCCn1ccc(CN2CCCC[C@@H]2CCn2ccnc2C)n1
InChIInChI=1S/C17H27N5/c1-3-22-12-7-16(19-22)14-21-10-5-4-6-17(21)8-11-20-13-9-18-15(20)2/h7,9,12-13,17H,3-6,8,10-11,14H2,1-2H3/t17-/m1/s1
InChIKeyOYBRMAHNYBDGEV-QGZVFWFLSA-N
MW301.44 g/mol
LogP2.85
Rot. Bonds6

About (2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine

(2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine (PubChem CID 124754791) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is (2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name(2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine
PubChem CID124754791
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name(2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine
SMILESCCn1ccc(CN2CCCC[C@@H]2CCn2ccnc2C)n1
InChIInChI=1S/C17H27N5/c1-3-22-12-7-16(19-22)14-21-10-5-4-6-17(21)8-11-20-13-9-18-15(20)2/h7,9,12-13,17H,3-6,8,10-11,14H2,1-2H3/t17-/m1/s1
InChIKeyOYBRMAHNYBDGEV-QGZVFWFLSA-N
XLogP2.85
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 131896236
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CID 131921149
2-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanol
CID 62020294
5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine
CID 70728855
2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 70712419
2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 124842082
3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 70772970
2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine
CID 167299183
1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 63388388
N-(2-methoxyphenyl)-2-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]acetamide
CID 91832346
1-[2-[2-(3-bromopropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 80691757

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine?
The IUPAC name of (2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine (CID 124754791) is (2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine.
What is the SMILES notation for (2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine?
The canonical SMILES for (2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine is CCn1ccc(CN2CCCC[C@@H]2CCn2ccnc2C)n1.
What is the InChIKey of (2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine?
The InChIKey is OYBRMAHNYBDGEV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27N5/c1-3-22-12-7-16(19-22)14-21-10-5-4-6-17(21)8-11-20-13-9-18-15(20)2/h7,9,12-13,17H,3-6,8,10-11,14H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine?
(2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine has a molecular weight of 301.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 124754791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).