(1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone

C20H22N4O — CID 125020810

IUPAC(1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCC[C@@H](Cc3ccnc4ccccc34)C2)c1
InChIInChI=1S/C20H22N4O/c1-23-13-19(22-14-23)20(25)24-10-4-5-15(12-24)11-16-8-9-21-18-7-3-2-6-17(16)18/h2-3,6-9,13-15H,4-5,10-12H2,1H3/t15-/m0/s1
InChIKeyYFLHDGHHLBSWCJ-HNNXBMFYSA-N
MW334.42 g/mol
LogP3.06
Rot. Bonds3

About (1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone

(1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 125020810) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID125020810
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCC[C@@H](Cc3ccnc4ccccc34)C2)c1
InChIInChI=1S/C20H22N4O/c1-23-13-19(22-14-23)20(25)24-10-4-5-15(12-24)11-16-8-9-21-18-7-3-2-6-17(16)18/h2-3,6-9,13-15H,4-5,10-12H2,1H3/t15-/m0/s1
InChIKeyYFLHDGHHLBSWCJ-HNNXBMFYSA-N
XLogP3.06
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-methylimidazol-4-yl)-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110098868
(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 124961035
1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110098808
(5-methylpyrazin-2-yl)-[(3R)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124956263
(5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652174
(1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone
CID 124614457
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124967130
pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124950383
(1-methylimidazol-4-yl)-[4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 110098870
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 125024184
[(6S)-6-(isoquinolin-4-ylmethyl)-4-methyl-1,4-diazepan-1-yl]-(1-methylimidazol-4-yl)methanone
CID 124974586
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124951283

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone (CID 125020810) is (1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone is Cn1cnc(C(=O)N2CCC[C@@H](Cc3ccnc4ccccc34)C2)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is YFLHDGHHLBSWCJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23-13-19(22-14-23)20(25)24-10-4-5-15(12-24)11-16-8-9-21-18-7-3-2-6-17(16)18/h2-3,6-9,13-15H,4-5,10-12H2,1H3/t15-/m0/s1.
What are the key properties of (1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
(1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 125020810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).