[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone

C20H21N5O2 — CID 100644530

IUPAC[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@@H](Oc2cnccn2)C1
InChIInChI=1S/C20H21N5O2/c26-20(17-5-3-16(4-6-17)13-24-11-9-22-15-24)25-10-1-2-18(14-25)27-19-12-21-7-8-23-19/h3-9,11-12,15,18H,1-2,10,13-14H2/t18-/m1/s1
InChIKeyABYXNTPTTYMDSD-GOSISDBHSA-N
MW363.42 g/mol
LogP2.40
Rot. Bonds5

About [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone

[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone (PubChem CID 100644530) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
PubChem CID100644530
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@@H](Oc2cnccn2)C1
InChIInChI=1S/C20H21N5O2/c26-20(17-5-3-16(4-6-17)13-24-11-9-22-15-24)25-10-1-2-18(14-25)27-19-12-21-7-8-23-19/h3-9,11-12,15,18H,1-2,10,13-14H2/t18-/m1/s1
InChIKeyABYXNTPTTYMDSD-GOSISDBHSA-N
XLogP2.40
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 122260177
[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 94022564
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090
[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636200
[4-(imidazol-1-ylmethyl)phenyl]-[3-(prop-2-ynoxymethyl)piperidin-1-yl]methanone
CID 90505298
4-[1-[4-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628749
[(3S)-3-(4-fluorophenyl)azepan-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 99873260
2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249016
[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121105751
1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one
CID 100647916
(4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 91627868

Frequently Asked Questions

What is the IUPAC name of [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
The IUPAC name of [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone (CID 100644530) is [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
The canonical SMILES for [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone is O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@@H](Oc2cnccn2)C1.
What is the InChIKey of [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
The InChIKey is ABYXNTPTTYMDSD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20(17-5-3-16(4-6-17)13-24-11-9-22-15-24)25-10-1-2-18(14-25)27-19-12-21-7-8-23-19/h3-9,11-12,15,18H,1-2,10,13-14H2/t18-/m1/s1.
What are the key properties of [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone has a molecular weight of 363.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 100644530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).