[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone

C25H36N4O2 — CID 124983801

IUPAC[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
SMILESCC(C)c1ccc(CN2CCC(c3[nH]ncc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1
InChIInChI=1S/C25H36N4O2/c1-17(2)21-7-5-20(6-8-21)16-28-11-9-22(10-12-28)24-23(13-26-27-24)25(30)29-14-18(3)31-19(4)15-29/h5-8,13,17-19,22H,9-12,14-16H2,1-4H3,(H,26,27)/t18-,19-/m0/s1
InChIKeyNGFJTOWVYWHATR-OALUTQOASA-N
MW424.59 g/mol
LogP4.16
Rot. Bonds5

About [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone (PubChem CID 124983801) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
PubChem CID124983801
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
SMILESCC(C)c1ccc(CN2CCC(c3[nH]ncc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1
InChIInChI=1S/C25H36N4O2/c1-17(2)21-7-5-20(6-8-21)16-28-11-9-22(10-12-28)24-23(13-26-27-24)25(30)29-14-18(3)31-19(4)15-29/h5-8,13,17-19,22H,9-12,14-16H2,1-4H3,(H,26,27)/t18-,19-/m0/s1
InChIKeyNGFJTOWVYWHATR-OALUTQOASA-N
XLogP4.16
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 92584441
(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-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 92584451
1-[4-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylethanone
CID 92584406
1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110236654
cyclohexyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92584391
cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92584390
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
CID 129478229
1-[4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 92584402
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 126417127
azepan-1-yl-[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 110082926
(5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959820

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone?
The IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone (CID 124983801) is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone is CC(C)c1ccc(CN2CCC(c3[nH]ncc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1.
What is the InChIKey of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone?
The InChIKey is NGFJTOWVYWHATR-OALUTQOASA-N. The full InChI is InChI=1S/C25H36N4O2/c1-17(2)21-7-5-20(6-8-21)16-28-11-9-22(10-12-28)24-23(13-26-27-24)25(30)29-14-18(3)31-19(4)15-29/h5-8,13,17-19,22H,9-12,14-16H2,1-4H3,(H,26,27)/t18-,19-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone?
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone has a molecular weight of 424.59 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 124983801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).