(3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine

C16H26N6O — CID 97201166

IUPAC(3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
SMILESCOCCN1CCC[C@@H](c2nnc(Cn3ccnc3C)n2C)C1
InChIInChI=1S/C16H26N6O/c1-13-17-6-8-22(13)12-15-18-19-16(20(15)2)14-5-4-7-21(11-14)9-10-23-3/h6,8,14H,4-5,7,9-12H2,1-3H3/t14-/m1/s1
InChIKeyNABSPPYAMYCHHA-CQSZACIVSA-N
MW318.43 g/mol
LogP1.19
Rot. Bonds6

About (3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine

(3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine (PubChem CID 97201166) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is (3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name(3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
PubChem CID97201166
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name(3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
SMILESCOCCN1CCC[C@@H](c2nnc(Cn3ccnc3C)n2C)C1
InChIInChI=1S/C16H26N6O/c1-13-17-6-8-22(13)12-15-18-19-16(20(15)2)14-5-4-7-21(11-14)9-10-23-3/h6,8,14H,4-5,7,9-12H2,1-3H3/t14-/m1/s1
InChIKeyNABSPPYAMYCHHA-CQSZACIVSA-N
XLogP1.19
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-(2-phenylethyl)piperidine
CID 72924066
4-[[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 97210700
2-methoxy-1-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72925022
(3S)-1-[(5-methylfuran-2-yl)methyl]-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
CID 97192132
3-[[(3S)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 97205422
4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 70787358
3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
CID 97208390
2-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
CID 97154316
2-(2-methylimidazol-1-yl)-1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 70732883
2-(methylamino)-1-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72927433
2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 72899691
[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 72883303

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of (3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine (CID 97201166) is (3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for (3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for (3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine is COCCN1CCC[C@@H](c2nnc(Cn3ccnc3C)n2C)C1.
What is the InChIKey of (3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine?
The InChIKey is NABSPPYAMYCHHA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N6O/c1-13-17-6-8-22(13)12-15-18-19-16(20(15)2)14-5-4-7-21(11-14)9-10-23-3/h6,8,14H,4-5,7,9-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine?
(3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine has a molecular weight of 318.43 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methoxyethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 97201166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).