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

C21H25N5O2 — CID 126428369

IUPAC[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone
SMILESCn1cncc1-c1ccc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)cc1
InChIInChI=1S/C21H25N5O2/c1-24-12-9-23-20(24)19(27)16-7-10-26(11-8-16)21(28)17-5-3-15(4-6-17)18-13-22-14-25(18)2/h3-6,9,12-14,16,19,27H,7-8,10-11H2,1-2H3/t19-/m0/s1
InChIKeyYGGPZTPYCBAOLQ-IBGZPJMESA-N
MW379.46 g/mol
LogP2.41
Rot. Bonds4

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

[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone (PubChem CID 126428369) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone
PubChem CID126428369
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone
SMILESCn1cncc1-c1ccc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)cc1
InChIInChI=1S/C21H25N5O2/c1-24-12-9-23-20(24)19(27)16-7-10-26(11-8-16)21(28)17-5-3-15(4-6-17)18-13-22-14-25(18)2/h3-6,9,12-14,16,19,27H,7-8,10-11H2,1-2H3/t19-/m0/s1
InChIKeyYGGPZTPYCBAOLQ-IBGZPJMESA-N
XLogP2.41
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-3-pyridinyl)-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 124754310
[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
CID 118793416
2H-benzotriazol-5-yl-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 77096803
[2-(ethylamino)pyrimidin-5-yl]-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 97122502
(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 121496323
[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176505977
[6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134697141
[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-thiophen-3-ylphenyl)methanone
CID 125154753
1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124750923
1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 90648390
(4-chloro-1-ethylpyrazol-5-yl)-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 125156741
(4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 154795263

Frequently Asked Questions

What is the IUPAC name of [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone?
The IUPAC name of [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone (CID 126428369) is [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone.
What is the SMILES notation for [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone?
The canonical SMILES for [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone is Cn1cncc1-c1ccc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)cc1.
What is the InChIKey of [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone?
The InChIKey is YGGPZTPYCBAOLQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N5O2/c1-24-12-9-23-20(24)19(27)16-7-10-26(11-8-16)21(28)17-5-3-15(4-6-17)18-13-22-14-25(18)2/h3-6,9,12-14,16,19,27H,7-8,10-11H2,1-2H3/t19-/m0/s1.
What are the key properties of [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone?
[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone has a molecular weight of 379.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone is sourced from PubChem (CID 126428369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).