[3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

C21H28N4O2 — CID 126452571

IUPAC[3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(-c2cnc[nH]2)c1)N1CCCC[C@H]1CCN1CCOCC1
InChIInChI=1S/C21H28N4O2/c26-21(18-5-3-4-17(14-18)20-15-22-16-23-20)25-8-2-1-6-19(25)7-9-24-10-12-27-13-11-24/h3-5,14-16,19H,1-2,6-13H2,(H,22,23)/t19-/m0/s1
InChIKeyAZHZULZDCXQUDG-IBGZPJMESA-N
MW368.48 g/mol
LogP2.79
Rot. Bonds5

About [3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

[3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 126452571) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID126452571
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(-c2cnc[nH]2)c1)N1CCCC[C@H]1CCN1CCOCC1
InChIInChI=1S/C21H28N4O2/c26-21(18-5-3-4-17(14-18)20-15-22-16-23-20)25-8-2-1-6-19(25)7-9-24-10-12-27-13-11-24/h3-5,14-16,19H,1-2,6-13H2,(H,22,23)/t19-/m0/s1
InChIKeyAZHZULZDCXQUDG-IBGZPJMESA-N
XLogP2.79
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 96580443
1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111788
(2-ethylpyrimidin-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97121729
[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95111790
[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
(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984382
pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 95111669
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889

Frequently Asked Questions

What is the IUPAC name of [3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 126452571) is [3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is O=C(c1cccc(-c2cnc[nH]2)c1)N1CCCC[C@H]1CCN1CCOCC1.
What is the InChIKey of [3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is AZHZULZDCXQUDG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N4O2/c26-21(18-5-3-4-17(14-18)20-15-22-16-23-20)25-8-2-1-6-19(25)7-9-24-10-12-27-13-11-24/h3-5,14-16,19H,1-2,6-13H2,(H,22,23)/t19-/m0/s1.
What are the key properties of [3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
[3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 368.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126452571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).