[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone

C25H30N4O2 — CID 94610252

IUPAC[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone
SMILESCc1ccc(CNc2cccc(C(=O)N3CCC([C@@H](O)c4nccn4C)CC3)c2)cc1
InChIInChI=1S/C25H30N4O2/c1-18-6-8-19(9-7-18)17-27-22-5-3-4-21(16-22)25(31)29-13-10-20(11-14-29)23(30)24-26-12-15-28(24)2/h3-9,12,15-16,20,23,27,30H,10-11,13-14,17H2,1-2H3/t23-/m1/s1
InChIKeyTWWWZQOPYLPWEB-HSZRJFAPSA-N
MW418.54 g/mol
LogP3.93
Rot. Bonds6

About [4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone

[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone (PubChem CID 94610252) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is [4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone.

Molecular Properties

Compound Name[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone
PubChem CID94610252
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone
SMILESCc1ccc(CNc2cccc(C(=O)N3CCC([C@@H](O)c4nccn4C)CC3)c2)cc1
InChIInChI=1S/C25H30N4O2/c1-18-6-8-19(9-7-18)17-27-22-5-3-4-21(16-22)25(31)29-13-10-20(11-14-29)23(30)24-26-12-15-28(24)2/h3-9,12,15-16,20,23,27,30H,10-11,13-14,17H2,1-2H3/t23-/m1/s1
InChIKeyTWWWZQOPYLPWEB-HSZRJFAPSA-N
XLogP3.93
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone with MolForge

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Related Compounds

2H-benzotriazol-5-yl-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 77096803
[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
CID 118793416
[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 131929400
[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-thiophen-3-ylphenyl)methanone
CID 125154753
[2-(ethylamino)pyrimidin-5-yl]-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 97122502
[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone
CID 50980976
(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 121496323
(5-chloro-3-pyridinyl)-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 124754310
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone
CID 166614914
[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176505977
1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124750923
[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 139013123

Frequently Asked Questions

What is the IUPAC name of [4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone?
The IUPAC name of [4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone (CID 94610252) is [4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone.
What is the SMILES notation for [4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone?
The canonical SMILES for [4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone is Cc1ccc(CNc2cccc(C(=O)N3CCC([C@@H](O)c4nccn4C)CC3)c2)cc1.
What is the InChIKey of [4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone?
The InChIKey is TWWWZQOPYLPWEB-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-6-8-19(9-7-18)17-27-22-5-3-4-21(16-22)25(31)29-13-10-20(11-14-29)23(30)24-26-12-15-28(24)2/h3-9,12,15-16,20,23,27,30H,10-11,13-14,17H2,1-2H3/t23-/m1/s1.
What are the key properties of [4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone?
[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone has a molecular weight of 418.54 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone is sourced from PubChem (CID 94610252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).