[1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

C21H30N6O2 — CID 42098815

IUPAC[1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cn(CCN2CCCCC2)nn1)N1CCC[C@@H](OCc2cccnc2)C1
InChIInChI=1S/C21H30N6O2/c28-21(20-16-27(24-23-20)13-12-25-9-2-1-3-10-25)26-11-5-7-19(15-26)29-17-18-6-4-8-22-14-18/h4,6,8,14,16,19H,1-3,5,7,9-13,15,17H2/t19-/m1/s1
InChIKeySOMRBRCHAOGBCK-LJQANCHMSA-N
MW398.51 g/mol
LogP1.98
Rot. Bonds7

About [1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

[1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 42098815) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is [1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
PubChem CID42098815
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name[1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cn(CCN2CCCCC2)nn1)N1CCC[C@@H](OCc2cccnc2)C1
InChIInChI=1S/C21H30N6O2/c28-21(20-16-27(24-23-20)13-12-25-9-2-1-3-10-25)26-11-5-7-19(15-26)29-17-18-6-4-8-22-14-18/h4,6,8,14,16,19H,1-3,5,7,9-13,15,17H2/t19-/m1/s1
InChIKeySOMRBRCHAOGBCK-LJQANCHMSA-N
XLogP1.98
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 96582328
3-(4-methylpiperazin-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 90648429
(2-morpholin-4-ylphenyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131916218
(5-cyclohexyl-1H-pyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70759901
[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70758176
(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 96577943
2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 86286203
(2-methoxy-4-pyridinyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70710793
2,1-benzoxazol-3-yl-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 95207327
2-phenylsulfanyl-1-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580928
2-phenylsulfanyl-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580927
[1-(3-phenylpropyl)triazol-4-yl]-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 45237482

Frequently Asked Questions

What is the IUPAC name of [1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (CID 42098815) is [1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is O=C(c1cn(CCN2CCCCC2)nn1)N1CCC[C@@H](OCc2cccnc2)C1.
What is the InChIKey of [1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is SOMRBRCHAOGBCK-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N6O2/c28-21(20-16-27(24-23-20)13-12-25-9-2-1-3-10-25)26-11-5-7-19(15-26)29-17-18-6-4-8-22-14-18/h4,6,8,14,16,19H,1-3,5,7,9-13,15,17H2/t19-/m1/s1.
What are the key properties of [1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
[1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 42098815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).