[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone

C22H24N4O2 — CID 118793416

IUPAC[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
SMILESCn1ccnc1C(O)C1CCN(C(=O)c2cccc(-c3ccncc3)c2)CC1
InChIInChI=1S/C22H24N4O2/c1-25-14-11-24-21(25)20(27)17-7-12-26(13-8-17)22(28)19-4-2-3-18(15-19)16-5-9-23-10-6-16/h2-6,9-11,14-15,17,20,27H,7-8,12-13H2,1H3
InChIKeyNPTLOMTYGCQUSZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.07
Rot. Bonds4

About [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone

[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone (PubChem CID 118793416) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
PubChem CID118793416
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
SMILESCn1ccnc1C(O)C1CCN(C(=O)c2cccc(-c3ccncc3)c2)CC1
InChIInChI=1S/C22H24N4O2/c1-25-14-11-24-21(25)20(27)17-7-12-26(13-8-17)22(28)19-4-2-3-18(15-19)16-5-9-23-10-6-16/h2-6,9-11,14-15,17,20,27H,7-8,12-13H2,1H3
InChIKeyNPTLOMTYGCQUSZ-UHFFFAOYSA-N
XLogP3.07
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-thiophen-3-ylphenyl)methanone
CID 125154753
2H-benzotriazol-5-yl-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 77096803
[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 131929400
(5-chloro-3-pyridinyl)-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 124754310
[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone
CID 94610252
[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone
CID 126428369
(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 121496323
[2-(ethylamino)pyrimidin-5-yl]-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 97122502
2,3-dihydro-1,4-benzodioxin-5-yl-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 99606745
(4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 154795263
[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176505977
(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one
CID 124616877

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone?
The IUPAC name of [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone (CID 118793416) is [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone?
The canonical SMILES for [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone is Cn1ccnc1C(O)C1CCN(C(=O)c2cccc(-c3ccncc3)c2)CC1.
What is the InChIKey of [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone?
The InChIKey is NPTLOMTYGCQUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25-14-11-24-21(25)20(27)17-7-12-26(13-8-17)22(28)19-4-2-3-18(15-19)16-5-9-23-10-6-16/h2-6,9-11,14-15,17,20,27H,7-8,12-13H2,1H3.
What are the key properties of [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone?
[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone has a molecular weight of 376.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 118793416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).