(3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone

C17H22N4O2 — CID 154736364

IUPAC(3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone
SMILESCn1ccnc1CNc1ccccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C17H22N4O2/c1-20-10-8-18-16(20)11-19-15-7-3-2-6-14(15)17(23)21-9-4-5-13(22)12-21/h2-3,6-8,10,13,19,22H,4-5,9,11-12H2,1H3
InChIKeyBGWIGGWLIJNHGA-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.63
Rot. Bonds4

About (3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone

(3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone (PubChem CID 154736364) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone
PubChem CID154736364
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone
SMILESCn1ccnc1CNc1ccccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C17H22N4O2/c1-20-10-8-18-16(20)11-19-15-7-3-2-6-14(15)17(23)21-9-4-5-13(22)12-21/h2-3,6-8,10,13,19,22H,4-5,9,11-12H2,1H3
InChIKeyBGWIGGWLIJNHGA-UHFFFAOYSA-N
XLogP1.63
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110900298
[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 60536898
[2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 71855541
(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107682
2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 164632184
(3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone
CID 111753525
N-(2-chlorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536747
7-[[2-(3-hydroxypiperidine-1-carbonyl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60536669
3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129470841
[(3R)-3-hydroxypiperidin-1-yl]-[2-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone
CID 99828541
[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 71847443
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone (CID 154736364) is (3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone is Cn1ccnc1CNc1ccccc1C(=O)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone?
The InChIKey is BGWIGGWLIJNHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-10-8-18-16(20)11-19-15-7-3-2-6-14(15)17(23)21-9-4-5-13(22)12-21/h2-3,6-8,10,13,19,22H,4-5,9,11-12H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone?
(3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone has a molecular weight of 314.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone is sourced from PubChem (CID 154736364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).