[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone

C21H28N4O2 — CID 96580443

IUPAC[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccn2)c1)N1CCCC[C@@H]1CCN1CCOCC1
InChIInChI=1S/C21H28N4O2/c26-21(18-5-3-7-20(17-18)25-11-4-9-22-25)24-10-2-1-6-19(24)8-12-23-13-15-27-16-14-23/h3-5,7,9,11,17,19H,1-2,6,8,10,12-16H2/t19-/m1/s1
InChIKeyBNPWGGLJGMOVOQ-LJQANCHMSA-N
MW368.48 g/mol
LogP2.59
Rot. Bonds5

About [(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone

[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (PubChem CID 96580443) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
PubChem CID96580443
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccn2)c1)N1CCCC[C@@H]1CCN1CCOCC1
InChIInChI=1S/C21H28N4O2/c26-21(18-5-3-7-20(17-18)25-11-4-9-22-25)24-10-2-1-6-19(24)8-12-23-13-15-27-16-14-23/h3-5,7,9,11,17,19H,1-2,6,8,10,12-16H2/t19-/m1/s1
InChIKeyBNPWGGLJGMOVOQ-LJQANCHMSA-N
XLogP2.59
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-morpholin-4-ylethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 72897752
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
[3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 126452571
[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70729734
1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111788
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
CID 124701383
[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95111790
[1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate
CID 126803064
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107
[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (CID 96580443) is [(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone is O=C(c1cccc(-n2cccn2)c1)N1CCCC[C@@H]1CCN1CCOCC1.
What is the InChIKey of [(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The InChIKey is BNPWGGLJGMOVOQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-21(18-5-3-7-20(17-18)25-11-4-9-22-25)24-10-2-1-6-19(24)8-12-23-13-15-27-16-14-23/h3-5,7,9,11,17,19H,1-2,6,8,10,12-16H2/t19-/m1/s1.
What are the key properties of [(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone has a molecular weight of 368.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 96580443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).