cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C22H34N4O3 — CID 92584390

IUPACcyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)C3CCCCC3)CC2)C[C@@H](C)O1
InChIInChI=1S/C22H34N4O3/c1-15-13-26(14-16(2)29-15)22(28)19-12-23-24-20(19)17-8-10-25(11-9-17)21(27)18-6-4-3-5-7-18/h12,15-18H,3-11,13-14H2,1-2H3,(H,23,24)/t15-,16-/m1/s1
InChIKeyAMXWSYPLBQMEIU-HZPDHXFCSA-N
MW402.54 g/mol
LogP2.95
Rot. Bonds3

About cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone

cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 92584390) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID92584390
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Namecyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)C3CCCCC3)CC2)C[C@@H](C)O1
InChIInChI=1S/C22H34N4O3/c1-15-13-26(14-16(2)29-15)22(28)19-12-23-24-20(19)17-8-10-25(11-9-17)21(27)18-6-4-3-5-7-18/h12,15-18H,3-11,13-14H2,1-2H3,(H,23,24)/t15-,16-/m1/s1
InChIKeyAMXWSYPLBQMEIU-HZPDHXFCSA-N
XLogP2.95
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclohexyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92584391
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 126417127
1-[4-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylethanone
CID 92584406
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
CID 129478229
[5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 92584441
1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110236654
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 124983801
(2,6-dimethylmorpholin-4-yl)-[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 110236637
1-[4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 92584402
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 92584451
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone
CID 72845696
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 92584390) is cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone is C[C@@H]1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)C3CCCCC3)CC2)C[C@@H](C)O1.
What is the InChIKey of cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is AMXWSYPLBQMEIU-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-15-13-26(14-16(2)29-15)22(28)19-12-23-24-20(19)17-8-10-25(11-9-17)21(27)18-6-4-3-5-7-18/h12,15-18H,3-11,13-14H2,1-2H3,(H,23,24)/t15-,16-/m1/s1.
What are the key properties of cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 402.54 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92584390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).