2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

C17H26N6O — CID 124842082

IUPAC2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCc1nccn1CC[C@H]1CCCCN1CC(=O)Nc1ccn(C)n1
InChIInChI=1S/C17H26N6O/c1-14-18-8-12-22(14)11-6-15-5-3-4-9-23(15)13-17(24)19-16-7-10-21(2)20-16/h7-8,10,12,15H,3-6,9,11,13H2,1-2H3,(H,19,20,24)/t15-/m1/s1
InChIKeyBNZBSHWUXYLEKD-OAHLLOKOSA-N
MW330.44 g/mol
LogP1.81
Rot. Bonds6

About 2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 124842082) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID124842082
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCc1nccn1CC[C@H]1CCCCN1CC(=O)Nc1ccn(C)n1
InChIInChI=1S/C17H26N6O/c1-14-18-8-12-22(14)11-6-15-5-3-4-9-23(15)13-17(24)19-16-7-10-21(2)20-16/h7-8,10,12,15H,3-6,9,11,13H2,1-2H3,(H,19,20,24)/t15-/m1/s1
InChIKeyBNZBSHWUXYLEKD-OAHLLOKOSA-N
XLogP1.81
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]acetamide
CID 91832346
N-(1-methylpyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
CID 91842264
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]-1,2,4-oxadiazole-3-carboxamide
CID 70712419
(2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 124754791
3-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(2-methylphenyl)-3-oxopropanamide
CID 94612882
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
CID 91834462
2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91830392
2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 131896236
(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 125162917
2-cyclohexyl-N-(1-methylpyrazol-3-yl)acetamide
CID 51228914
1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 63388388

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 124842082) is 2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is Cc1nccn1CC[C@H]1CCCCN1CC(=O)Nc1ccn(C)n1.
What is the InChIKey of 2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is BNZBSHWUXYLEKD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N6O/c1-14-18-8-12-22(14)11-6-15-5-3-4-9-23(15)13-17(24)19-16-7-10-21(2)20-16/h7-8,10,12,15H,3-6,9,11,13H2,1-2H3,(H,19,20,24)/t15-/m1/s1.
What are the key properties of 2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 330.44 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 124842082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).