[5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone

C22H30N4O2 — CID 92584441

IUPAC[5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn[nH]c2C2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1
InChIInChI=1S/C22H30N4O2/c1-16-13-26(14-17(2)28-16)22(27)20-12-23-24-21(20)19-8-10-25(11-9-19)15-18-6-4-3-5-7-18/h3-7,12,16-17,19H,8-11,13-15H2,1-2H3,(H,23,24)/t16-,17-/m1/s1
InChIKeyAMYNROMYPWFMNB-IAGOWNOFSA-N
MW382.51 g/mol
LogP3.04
Rot. Bonds4

About [5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone

[5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 92584441) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is [5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID92584441
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name[5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn[nH]c2C2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1
InChIInChI=1S/C22H30N4O2/c1-16-13-26(14-17(2)28-16)22(27)20-12-23-24-21(20)19-8-10-25(11-9-19)15-18-6-4-3-5-7-18/h3-7,12,16-17,19H,8-11,13-15H2,1-2H3,(H,23,24)/t16-,17-/m1/s1
InChIKeyAMYNROMYPWFMNB-IAGOWNOFSA-N
XLogP3.04
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 110236637
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 124983801
1-[4-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylethanone
CID 92584406
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 92584451
1-[4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 92584402
cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92584390
cyclohexyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92584391
1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110236654
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
CID 129478229
azepan-1-yl-[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 110082926
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 126417127
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 92584441) is [5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cn[nH]c2C2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1.
What is the InChIKey of [5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is AMYNROMYPWFMNB-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-13-26(14-17(2)28-16)22(27)20-12-23-24-21(20)19-8-10-25(11-9-19)15-18-6-4-3-5-7-18/h3-7,12,16-17,19H,8-11,13-15H2,1-2H3,(H,23,24)/t16-,17-/m1/s1.
What are the key properties of [5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 382.51 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 92584441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).