2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone

C23H32N4O3 — CID 154821755

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)n1
InChIInChI=1S/C23H32N4O3/c1-17-14-18(2)27(24-17)16-22(29)26-12-13-30-21(15-25-10-8-20(28)9-11-25)23(26)19-6-4-3-5-7-19/h3-7,14,20-21,23,28H,8-13,15-16H2,1-2H3/t21-,23-/m0/s1
InChIKeyKRKOCXUJVQSVLY-GMAHTHKFSA-N
MW412.53 g/mol
LogP1.93
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone (PubChem CID 154821755) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone
PubChem CID154821755
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)n1
InChIInChI=1S/C23H32N4O3/c1-17-14-18(2)27(24-17)16-22(29)26-12-13-30-21(15-25-10-8-20(28)9-11-25)23(26)19-6-4-3-5-7-19/h3-7,14,20-21,23,28H,8-13,15-16H2,1-2H3/t21-,23-/m0/s1
InChIKeyKRKOCXUJVQSVLY-GMAHTHKFSA-N
XLogP1.93
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone (CID 154821755) is 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone?
The InChIKey is KRKOCXUJVQSVLY-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-17-14-18(2)27(24-17)16-22(29)26-12-13-30-21(15-25-10-8-20(28)9-11-25)23(26)19-6-4-3-5-7-19/h3-7,14,20-21,23,28H,8-13,15-16H2,1-2H3/t21-,23-/m0/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone has a molecular weight of 412.53 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone is sourced from PubChem (CID 154821755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).