[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone

C20H20N4O2 — CID 95314140

IUPAC[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
SMILESO=C(c1cccnc1Oc1ccccc1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C20H20N4O2/c25-20(23-12-5-6-16(14-23)24-13-11-21-15-24)18-9-4-10-22-19(18)26-17-7-2-1-3-8-17/h1-4,7-11,13,15-16H,5-6,12,14H2/t16-/m1/s1
InChIKeyVDDVVMRPCIEYIQ-MRXNPFEDSA-N
MW348.41 g/mol
LogP3.55
Rot. Bonds4

About [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone

[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone (PubChem CID 95314140) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
PubChem CID95314140
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
SMILESO=C(c1cccnc1Oc1ccccc1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C20H20N4O2/c25-20(23-12-5-6-16(14-23)24-13-11-21-15-24)18-9-4-10-22-19(18)26-17-7-2-1-3-8-17/h1-4,7-11,13,15-16H,5-6,12,14H2/t16-/m1/s1
InChIKeyVDDVVMRPCIEYIQ-MRXNPFEDSA-N
XLogP3.55
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110149181
(2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341019
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95313752
(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 95340385
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 95340983
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 95314062
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 55519855
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094
imidazo[1,2-a]pyridin-2-yl-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95350987
[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 101054143

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone?
The IUPAC name of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone (CID 95314140) is [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone is O=C(c1cccnc1Oc1ccccc1)N1CCC[C@@H](n2ccnc2)C1.
What is the InChIKey of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone?
The InChIKey is VDDVVMRPCIEYIQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(23-12-5-6-16(14-23)24-13-11-21-15-24)18-9-4-10-22-19(18)26-17-7-2-1-3-8-17/h1-4,7-11,13,15-16H,5-6,12,14H2/t16-/m1/s1.
What are the key properties of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone?
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone has a molecular weight of 348.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone is sourced from PubChem (CID 95314140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).