(4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone

C11H17N3O2 — CID 103511374

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C11H17N3O2/c1-11(16)3-5-14(6-4-11)10(15)9-7-12-8-13(9)2/h7-8,16H,3-6H2,1-2H3
InChIKeyUJKPXXBVXKSZKH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.41
Rot. Bonds1

About (4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone

(4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone (PubChem CID 103511374) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
PubChem CID103511374
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C11H17N3O2/c1-11(16)3-5-14(6-4-11)10(15)9-7-12-8-13(9)2/h7-8,16H,3-6H2,1-2H3
InChIKeyUJKPXXBVXKSZKH-UHFFFAOYSA-N
XLogP0.41
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 107160135
4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 103511484
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374
1,4-diazepan-1-yl-(3-methylimidazol-4-yl)methanone
CID 83883938
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
(3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512261
(3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 103511608
[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 125143151
(3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512264
[4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510289
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
(4-chloro-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81232947

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone (CID 103511374) is (4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCC(C)(O)CC1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is UJKPXXBVXKSZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(16)3-5-14(6-4-11)10(15)9-7-12-8-13(9)2/h7-8,16H,3-6H2,1-2H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 103511374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).