[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone

C22H23N3O2 — CID 96579127

IUPAC[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone
SMILESCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C22H23N3O2/c1-24-14-12-23-21(24)18-8-6-13-25(16-18)22(26)17-7-5-11-20(15-17)27-19-9-3-2-4-10-19/h2-5,7,9-12,14-15,18H,6,8,13,16H2,1H3/t18-/m1/s1
InChIKeyFWXDVWJVLYJWJN-GOSISDBHSA-N
MW361.45 g/mol
LogP4.23
Rot. Bonds4

About [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone

[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone (PubChem CID 96579127) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone
PubChem CID96579127
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone
SMILESCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C22H23N3O2/c1-24-14-12-23-21(24)18-8-6-13-25(16-18)22(26)17-7-5-11-20(15-17)27-19-9-3-2-4-10-19/h2-5,7,9-12,14-15,18H,6,8,13,16H2,1H3/t18-/m1/s1
InChIKeyFWXDVWJVLYJWJN-GOSISDBHSA-N
XLogP4.23
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 96577616
(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72840658
(3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 96579758
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 97202742
[(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 124574705
(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72877246
(2-methyl-1-benzofuran-5-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72864618
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(3-ethoxyphenyl)methanone
CID 72906810
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 96577296
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 96573315
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone
CID 96576461

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone?
The IUPAC name of [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone (CID 96579127) is [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone is Cn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1.
What is the InChIKey of [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone?
The InChIKey is FWXDVWJVLYJWJN-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-24-14-12-23-21(24)18-8-6-13-25(16-18)22(26)17-7-5-11-20(15-17)27-19-9-3-2-4-10-19/h2-5,7,9-12,14-15,18H,6,8,13,16H2,1H3/t18-/m1/s1.
What are the key properties of [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone?
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone has a molecular weight of 361.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone is sourced from PubChem (CID 96579127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).