(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone

C18H23N3O — CID 171914388

IUPAC(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
SMILESCn1ccnc1C(=O)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C18H23N3O/c1-20-13-10-19-18(20)17(22)16-8-5-11-21(14-16)12-9-15-6-3-2-4-7-15/h2-4,6-7,10,13,16H,5,8-9,11-12,14H2,1H3
InChIKeyNYQCOSXFUZTKIN-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.56
Rot. Bonds5

About (1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone

(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone (PubChem CID 171914388) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
PubChem CID171914388
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
SMILESCn1ccnc1C(=O)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C18H23N3O/c1-20-13-10-19-18(20)17(22)16-8-5-11-21(14-16)12-9-15-6-3-2-4-7-15/h2-4,6-7,10,13,16H,5,8-9,11-12,14H2,1H3
InChIKeyNYQCOSXFUZTKIN-UHFFFAOYSA-N
XLogP2.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]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

[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70750788
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70731123
(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 70740554
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
(1-methylimidazol-2-yl)-[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42147518
[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70786107
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(1-methylimidazol-2-yl)methanone
CID 171937465
(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
(1-methylimidazol-2-yl)-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]methanone
CID 70751141
methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate
CID 79038488
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone (CID 171914388) is (1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone is Cn1ccnc1C(=O)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone?
The InChIKey is NYQCOSXFUZTKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-20-13-10-19-18(20)17(22)16-8-5-11-21(14-16)12-9-15-6-3-2-4-7-15/h2-4,6-7,10,13,16H,5,8-9,11-12,14H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone?
(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone has a molecular weight of 297.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 171914388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).